N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide

C81H84Cl6FN15O11 — CID 160790459

IUPACN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)ccn1.CCc1cnc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C5CC5)n4)(C2)C3)ccc1Cl.Cn1ccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)n1
InChIInChI=1S/C21H21Cl2N3O3.C21H22ClFN4O3.C21H23ClN4O2.C18H18Cl2N4O3/c1-2-14-7-13(5-6-24-14)19(28)26-21-10-20(11-21,12-21)25-18(27)9-29-15-3-4-16(22)17(23)8-15;1-2-13-8-25-17(9-24-13)19(29)27-21-6-5-20(11-21,12-21)26-18(28)10-30-14-3-4-15(22)16(23)7-14;1-13-6-15(4-5-16(13)22)28-9-19(27)26-21-10-20(11-21,12-21)25-18-8-23-7-17(24-18)14-2-3-14;1-24-5-4-14(23-24)16(26)22-18-8-17(9-18,10-18)21-15(25)7-27-11-2-3-12(19)13(20)6-11/h3-8H,2,9-12H2,1H3,(H,25,27)(H,26,28);3-4,7-9H,2,5-6,10-12H2,1H3,(H,26,28)(H,27,29);4-8,14H,2-3,9-12H2,1H3,(H,24,25)(H,26,27);2-6H,7-10H2,1H3,(H,21,25)(H,22,26)
InChIKeySBTNAPKRJXHSHP-UHFFFAOYSA-N
MW1675.37 g/mol
LogP12.30
Rot. Bonds27

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide (PubChem CID 160790459) has the molecular formula C81H84Cl6FN15O11 and a molecular weight of 1675.37 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide
PubChem CID160790459
Molecular FormulaC81H84Cl6FN15O11
Molecular Weight1675.37 g/mol
Exact Mass1671.46
IUPAC NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)ccn1.CCc1cnc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C5CC5)n4)(C2)C3)ccc1Cl.Cn1ccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)n1
InChIInChI=1S/C21H21Cl2N3O3.C21H22ClFN4O3.C21H23ClN4O2.C18H18Cl2N4O3/c1-2-14-7-13(5-6-24-14)19(28)26-21-10-20(11-21,12-21)25-18(27)9-29-15-3-4-16(22)17(23)8-15;1-2-13-8-25-17(9-24-13)19(29)27-21-6-5-20(11-21,12-21)26-18(28)10-30-14-3-4-15(22)16(23)7-14;1-13-6-15(4-5-16(13)22)28-9-19(27)26-21-10-20(11-21,12-21)25-18-8-23-7-17(24-18)14-2-3-14;1-24-5-4-14(23-24)16(26)22-18-8-17(9-18,10-18)21-15(25)7-27-11-2-3-12(19)13(20)6-11/h3-8H,2,9-12H2,1H3,(H,25,27)(H,26,28);3-4,7-9H,2,5-6,10-12H2,1H3,(H,26,28)(H,27,29);4-8,14H,2-3,9-12H2,1H3,(H,24,25)(H,26,27);2-6H,7-10H2,1H3,(H,21,25)(H,22,26)
InChIKeySBTNAPKRJXHSHP-UHFFFAOYSA-N
XLogP12.30
TPSA334.92 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001675.37
LogP ≤ 512.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[1-(1-fluoroethyl)pyrazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]propan-2-one
CID 162282440
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-3-propan-2-ylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]-1-bicyclo[1.1.1]pentanyl]-5-(difluoromethyl)-N-methylpyrazine-2-carboxamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one
CID 157491445
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[1-(methoxymethyl)pyrazol-3-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-4-carboxamide
CID 157860201
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide
CID 158302136
2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide
CID 160997545

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide (CID 160790459) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide is CCc1cc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)ccn1.CCc1cnc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C5CC5)n4)(C2)C3)ccc1Cl.Cn1ccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)n1.
What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is SBTNAPKRJXHSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3.C21H22ClFN4O3.C21H23ClN4O2.C18H18Cl2N4O3/c1-2-14-7-13(5-6-24-14)19(28)26-21-10-20(11-21,12-21)25-18(27)9-29-15-3-4-16(22)17(23)8-15;1-2-13-8-25-17(9-24-13)19(29)27-21-6-5-20(11-21,12-21)26-18(28)10-30-14-3-4-15(22)16(23)7-14;1-13-6-15(4-5-16(13)22)28-9-19(27)26-21-10-20(11-21,12-21)25-18-8-23-7-17(24-18)14-2-3-14;1-24-5-4-14(23-24)16(26)22-18-8-17(9-18,10-18)21-15(25)7-27-11-2-3-12(19)13(20)6-11/h3-8H,2,9-12H2,1H3,(H,25,27)(H,26,28);3-4,7-9H,2,5-6,10-12H2,1H3,(H,26,28)(H,27,29);4-8,14H,2-3,9-12H2,1H3,(H,24,25)(H,26,27);2-6H,7-10H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide?
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 1675.37 g/mol, XLogP of 12.30, 27 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-ethylpyrazine-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-ethylpyridine-4-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 160790459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).