N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide

C20H19ClF3NO — CID 125465080

IUPACN-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H19ClF3NO/c21-14-11-9-13(10-12-14)15-5-2-4-8-18(15)25-19(26)16-6-1-3-7-17(16)20(22,23)24/h1,3,6-7,9-12,15,18H,2,4-5,8H2,(H,25,26)/t15-,18-/m1/s1
InChIKeyPJNYMGCIDQWDQN-CRAIPNDOSA-N
MW381.83 g/mol
LogP5.82
Rot. Bonds3

About N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide

N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide (PubChem CID 125465080) has the molecular formula C20H19ClF3NO and a molecular weight of 381.83 g/mol. Its IUPAC name is N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
PubChem CID125465080
Molecular FormulaC20H19ClF3NO
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC NameN-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H19ClF3NO/c21-14-11-9-13(10-12-14)15-5-2-4-8-18(15)25-19(26)16-6-1-3-7-17(16)20(22,23)24/h1,3,6-7,9-12,15,18H,2,4-5,8H2,(H,25,26)/t15-,18-/m1/s1
InChIKeyPJNYMGCIDQWDQN-CRAIPNDOSA-N
XLogP5.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.83
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 106366776
cis-methyl (1R,2S)-2-[[2-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylate
CID 97029827
2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491455
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
CID 110125899
N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 114301247
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561767
N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
CID 106737225
2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 152994869
2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 144740074
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide
CID 123946452
2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide
CID 125465048

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide (CID 125465080) is N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide is O=C(N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide?
The InChIKey is PJNYMGCIDQWDQN-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H19ClF3NO/c21-14-11-9-13(10-12-14)15-5-2-4-8-18(15)25-19(26)16-6-1-3-7-17(16)20(22,23)24/h1,3,6-7,9-12,15,18H,2,4-5,8H2,(H,25,26)/t15-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide?
N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide has a molecular weight of 381.83 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 125465080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).