N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide

C16H22ClNO2 — CID 106133824

IUPACN-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC2CCC(Cl)CC2)ccc1C
InChIInChI=1S/C16H22ClNO2/c1-11-3-6-13(9-15(11)20-2)16(19)18-10-12-4-7-14(17)8-5-12/h3,6,9,12,14H,4-5,7-8,10H2,1-2H3,(H,18,19)
InChIKeyKNVSWSZDBOLUIL-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.53
Rot. Bonds4

About N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide

N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide (PubChem CID 106133824) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
PubChem CID106133824
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC2CCC(Cl)CC2)ccc1C
InChIInChI=1S/C16H22ClNO2/c1-11-3-6-13(9-15(11)20-2)16(19)18-10-12-4-7-14(17)8-5-12/h3,6,9,12,14H,4-5,7-8,10H2,1-2H3,(H,18,19)
InChIKeyKNVSWSZDBOLUIL-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
CID 106128639
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide (CID 106133824) is N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCC2CCC(Cl)CC2)ccc1C.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide?
The InChIKey is KNVSWSZDBOLUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11-3-6-13(9-15(11)20-2)16(19)18-10-12-4-7-14(17)8-5-12/h3,6,9,12,14H,4-5,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide?
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide has a molecular weight of 295.81 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 106133824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).