N-(4-chlorocyclohexyl)-4-methoxybenzamide

C14H18ClNO2 — CID 114297313

IUPACN-(4-chlorocyclohexyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(Cl)CC2)cc1
InChIInChI=1S/C14H18ClNO2/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h2-3,8-9,11-12H,4-7H2,1H3,(H,16,17)
InChIKeyHDDGYIUMSNSDOF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.97
Rot. Bonds3

About N-(4-chlorocyclohexyl)-4-methoxybenzamide

N-(4-chlorocyclohexyl)-4-methoxybenzamide (PubChem CID 114297313) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-4-methoxybenzamide
PubChem CID114297313
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(4-chlorocyclohexyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(Cl)CC2)cc1
InChIInChI=1S/C14H18ClNO2/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h2-3,8-9,11-12H,4-7H2,1H3,(H,16,17)
InChIKeyHDDGYIUMSNSDOF-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-4-methoxybenzamide?
The IUPAC name of N-(4-chlorocyclohexyl)-4-methoxybenzamide (CID 114297313) is N-(4-chlorocyclohexyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CCC(Cl)CC2)cc1.
What is the InChIKey of N-(4-chlorocyclohexyl)-4-methoxybenzamide?
The InChIKey is HDDGYIUMSNSDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h2-3,8-9,11-12H,4-7H2,1H3,(H,16,17).
What are the key properties of N-(4-chlorocyclohexyl)-4-methoxybenzamide?
N-(4-chlorocyclohexyl)-4-methoxybenzamide has a molecular weight of 267.76 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-4-methoxybenzamide is sourced from PubChem (CID 114297313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).