2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide

C44H42Cl2F6N6O2 — CID 88911585

IUPAC2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Cn2cc3ccccc3n2)CC1)c1cc(C(F)(F)F)ccc1Cl.O=C(NC1CCC(Cn2ncc3ccccc32)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/2C22H21ClF3N3O/c23-19-10-7-16(22(24,25)26)11-18(19)21(30)28-17-8-5-14(6-9-17)13-29-20-4-2-1-3-15(20)12-27-29;23-19-10-7-16(22(24,25)26)11-18(19)21(30)27-17-8-5-14(6-9-17)12-29-13-15-3-1-2-4-20(15)28-29/h1-4,7,10-12,14,17H,5-6,8-9,13H2,(H,28,30);1-4,7,10-11,13-14,17H,5-6,8-9,12H2,(H,27,30)
InChIKeyAZPRAIORBLPGIG-UHFFFAOYSA-N
MW871.75 g/mol
LogP11.39
Rot. Bonds8

About 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 88911585) has the molecular formula C44H42Cl2F6N6O2 and a molecular weight of 871.75 g/mol. Its IUPAC name is 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID88911585
Molecular FormulaC44H42Cl2F6N6O2
Molecular Weight871.75 g/mol
Exact Mass870.27
IUPAC Name2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Cn2cc3ccccc3n2)CC1)c1cc(C(F)(F)F)ccc1Cl.O=C(NC1CCC(Cn2ncc3ccccc32)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/2C22H21ClF3N3O/c23-19-10-7-16(22(24,25)26)11-18(19)21(30)28-17-8-5-14(6-9-17)13-29-20-4-2-1-3-15(20)12-27-29;23-19-10-7-16(22(24,25)26)11-18(19)21(30)27-17-8-5-14(6-9-17)12-29-13-15-3-1-2-4-20(15)28-29/h1-4,7,10-12,14,17H,5-6,8-9,13H2,(H,28,30);1-4,7,10-11,13-14,17H,5-6,8-9,12H2,(H,27,30)
InChIKeyAZPRAIORBLPGIG-UHFFFAOYSA-N
XLogP11.39
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.75
LogP ≤ 511.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

2-chloro-N-[4-[(3,4-dimethylpyrazol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53358855
2-chloro-N-[4-[[5-(dihydroxymethyl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 67364213
2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186810
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
2-chloro-5-(trifluoromethyl)-N-[4-[[[5-(trifluoromethyl)-3-pyridinyl]amino]methyl]cyclohexyl]benzamide
CID 58317319
[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]methyl trifluoromethanesulfonate
CID 86656575
2-chloro-N-[4-[(3-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53341170
2-chloro-N-[4-[(3,3-dimethyl-2-oxopyrrolo[2,3-b]pyridin-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53341429
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 27624413
fluoro 2-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,1-difluoroethanesulfonate
CID 87301295
2-chloro-N-[4-[(2H-pyrrol-5-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317484
2-chloro-N-[4-[[[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186857

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide (CID 88911585) is 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide is O=C(NC1CCC(Cn2cc3ccccc3n2)CC1)c1cc(C(F)(F)F)ccc1Cl.O=C(NC1CCC(Cn2ncc3ccccc32)CC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is AZPRAIORBLPGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21ClF3N3O/c23-19-10-7-16(22(24,25)26)11-18(19)21(30)28-17-8-5-14(6-9-17)13-29-20-4-2-1-3-15(20)12-27-29;23-19-10-7-16(22(24,25)26)11-18(19)21(30)27-17-8-5-14(6-9-17)12-29-13-15-3-1-2-4-20(15)28-29/h1-4,7,10-12,14,17H,5-6,8-9,13H2,(H,28,30);1-4,7,10-11,13-14,17H,5-6,8-9,12H2,(H,27,30).
What are the key properties of 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 871.75 g/mol, XLogP of 11.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 88911585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).