N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide

C21H22ClF3N2O — CID 138490227

IUPACN-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22ClF3N2O/c1-13(20(28)27-18-8-6-17(22)7-9-18)14-2-4-15(5-3-14)16-10-11-26-19(12-16)21(23,24)25/h6-15H,2-5H2,1H3,(H,27,28)
InChIKeyWSWKMGSCQQQPBU-UHFFFAOYSA-N
MW410.87 g/mol
LogP6.30
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide

N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide (PubChem CID 138490227) has the molecular formula C21H22ClF3N2O and a molecular weight of 410.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
PubChem CID138490227
Molecular FormulaC21H22ClF3N2O
Molecular Weight410.87 g/mol
Exact Mass410.14
IUPAC NameN-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22ClF3N2O/c1-13(20(28)27-18-8-6-17(22)7-9-18)14-2-4-15(5-3-14)16-10-11-26-19(12-16)21(23,24)25/h6-15H,2-5H2,1H3,(H,27,28)
InChIKeyWSWKMGSCQQQPBU-UHFFFAOYSA-N
XLogP6.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.87
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fluopyram
CID 11158353
(2R)-N-(4-Chlorophenyl)-2-(cis-4-(6-fluoro-4-quinolinyl)cyclohexyl)propanamide
CID 121328278
(S)-2-(4-Chlorophenyl)-2-Pyridin-3-Yl-1-[4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl]ethanone
CID 71720882
N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzoyl]piperidine-3-carboxamide
CID 121317995
(+)-2-chloro-N-(3-(1-(trifluoromethyl)cyclopropyl)-2-(2-(trifluoromethyl)pyridin-5-yl)propyl)benzamide
CID 73673308
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 42639933
US10251893, Cpd 50
CID 58447907
N-(3-chloro-4-methylphenyl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetamide
CID 1472407
N-(4-Chlorophenyl)-2-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)propanamide
CID 2766744
4-(4-chlorophenyl)-N-(3-pyridinylmethyl)cyclohexanecarboxamide
CID 2815214
4-(4-chlorophenyl)-N-(4-pyridinylmethyl)cyclohexanecarboxamide
CID 2815215
N-(2-chloro-3-pyridinyl)-2-phenylbutanamide
CID 11839529

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide (CID 138490227) is N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide?
The InChIKey is WSWKMGSCQQQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O/c1-13(20(28)27-18-8-6-17(22)7-9-18)14-2-4-15(5-3-14)16-10-11-26-19(12-16)21(23,24)25/h6-15H,2-5H2,1H3,(H,27,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide?
N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide has a molecular weight of 410.87 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide is sourced from PubChem (CID 138490227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).