cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide

C71H72F3N7O10 — CID 159848519

IUPACcis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide
SMILESCCC[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2ccc(OC3CCOCC3)c(C#N)c2)c1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccc2F)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc(NC(=O)C3(F)CC3)c2)ccc1O[C@H]1CCN(C(=O)CO)C[C@H]1F
InChIInChI=1S/C25H28N2O3.C24H23F2N3O4.C22H21FN2O3/c1-2-4-19-15-23(19)25(28)27-21-6-3-5-17(14-21)18-7-8-24(20(13-18)16-26)30-22-9-11-29-12-10-22;25-19-13-29(22(31)14-30)9-6-21(19)33-20-5-4-16(10-17(20)12-27)15-2-1-3-18(11-15)28-23(32)24(26)7-8-24;23-20-5-4-17(25-22(26)14-1-2-14)12-19(20)15-3-6-21(16(11-15)13-24)28-18-7-9-27-10-8-18/h3,5-8,13-14,19,22-23H,2,4,9-12,15H2,1H3,(H,27,28);1-5,10-11,19,21,30H,6-9,13-14H2,(H,28,32);3-6,11-12,14,18H,1-2,7-10H2,(H,25,26)/t19-,23-;19-,21+;/m01./s1
InChIKeyNPPXAHPLQDQTHE-ZOUZVEJOSA-N
MW1240.39 g/mol
LogP12.40
Rot. Bonds18

About cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide

cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide (PubChem CID 159848519) has the molecular formula C71H72F3N7O10 and a molecular weight of 1240.39 g/mol. Its IUPAC name is cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide
PubChem CID159848519
Molecular FormulaC71H72F3N7O10
Molecular Weight1240.39 g/mol
Exact Mass1239.53
IUPAC Namecis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide
SMILESCCC[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2ccc(OC3CCOCC3)c(C#N)c2)c1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccc2F)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc(NC(=O)C3(F)CC3)c2)ccc1O[C@H]1CCN(C(=O)CO)C[C@H]1F
InChIInChI=1S/C25H28N2O3.C24H23F2N3O4.C22H21FN2O3/c1-2-4-19-15-23(19)25(28)27-21-6-3-5-17(14-21)18-7-8-24(20(13-18)16-26)30-22-9-11-29-12-10-22;25-19-13-29(22(31)14-30)9-6-21(19)33-20-5-4-16(10-17(20)12-27)15-2-1-3-18(11-15)28-23(32)24(26)7-8-24;23-20-5-4-17(25-22(26)14-1-2-14)12-19(20)15-3-6-21(16(11-15)13-24)28-18-7-9-27-10-8-18/h3,5-8,13-14,19,22-23H,2,4,9-12,15H2,1H3,(H,27,28);1-5,10-11,19,21,30H,6-9,13-14H2,(H,28,32);3-6,11-12,14,18H,1-2,7-10H2,(H,25,26)/t19-,23-;19-,21+;/m01./s1
InChIKeyNPPXAHPLQDQTHE-ZOUZVEJOSA-N
XLogP12.40
TPSA245.36 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001240.39
LogP ≤ 512.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide
CID 129256205
cis-(1R,2S)-2-N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
CID 129256207
N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxyphenyl]phenyl]cyclopropanecarboxamide
CID 129256219
N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]cyclopropanecarboxamide
CID 129256221
N-[3-[3-(aminomethyl)-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]cyclopropanecarboxamide
CID 129256222
N-[3-[3-(aminomethyl)-4-[(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxyphenyl]phenyl]cyclopropanecarboxamide
CID 129256226
trans-(1S,2R)-N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide
CID 129256256
N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-cyanocyclopropane-1-carboxamide
CID 129256258
N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 129256262
N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-cyanocyclopropane-1-carboxamide
CID 129256269
(1S)-N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 129256273
cis-(1R,2S)-N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 129256274

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide?
The IUPAC name of cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide (CID 159848519) is cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide?
The canonical SMILES for cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide is CCC[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2ccc(OC3CCOCC3)c(C#N)c2)c1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccc2F)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc(NC(=O)C3(F)CC3)c2)ccc1O[C@H]1CCN(C(=O)CO)C[C@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide?
The InChIKey is NPPXAHPLQDQTHE-ZOUZVEJOSA-N. The full InChI is InChI=1S/C25H28N2O3.C24H23F2N3O4.C22H21FN2O3/c1-2-4-19-15-23(19)25(28)27-21-6-3-5-17(14-21)18-7-8-24(20(13-18)16-26)30-22-9-11-29-12-10-22;25-19-13-29(22(31)14-30)9-6-21(19)33-20-5-4-16(10-17(20)12-27)15-2-1-3-18(11-15)28-23(32)24(26)7-8-24;23-20-5-4-17(25-22(26)14-1-2-14)12-19(20)15-3-6-21(16(11-15)13-24)28-18-7-9-27-10-8-18/h3,5-8,13-14,19,22-23H,2,4,9-12,15H2,1H3,(H,27,28);1-5,10-11,19,21,30H,6-9,13-14H2,(H,28,32);3-6,11-12,14,18H,1-2,7-10H2,(H,25,26)/t19-,23-;19-,21+;/m01./s1.
What are the key properties of cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide?
cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide has a molecular weight of 1240.39 g/mol, XLogP of 12.40, 18 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide is sourced from PubChem (CID 159848519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).