1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide

C21H24ClNO2 — CID 100676610

IUPAC1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C
InChIInChI=1S/C21H24ClNO2/c1-15-14-16(10-11-19(15)25-2)23-20(24)21(12-6-3-7-13-21)17-8-4-5-9-18(17)22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,24)
InChIKeyDXRBKHUXQBNAJR-UHFFFAOYSA-N
MW357.88 g/mol
LogP5.50
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide

1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 100676610) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide
PubChem CID100676610
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C
InChIInChI=1S/C21H24ClNO2/c1-15-14-16(10-11-19(15)25-2)23-20(24)21(12-6-3-7-13-21)17-8-4-5-9-18(17)22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,24)
InChIKeyDXRBKHUXQBNAJR-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.88
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide
CID 100666997
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
N-(3-chloro-4-methylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439353
4-(2,4-dichlorophenyl)-N-(4-methoxy-3-methylphenyl)oxane-4-carboxamide
CID 95163453
methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100747148
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100667929
1-(2-chlorophenyl)-N-[3-cyano-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100747004
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
4-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]-2-methylbenzoic acid
CID 119240489
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
1-(2-chlorophenyl)-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770147
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide (CID 100676610) is 1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is DXRBKHUXQBNAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-15-14-16(10-11-19(15)25-2)23-20(24)21(12-6-3-7-13-21)17-8-4-5-9-18(17)22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,24).
What are the key properties of 1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide?
1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 357.88 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100676610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).