N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide

C17H24ClNO — CID 106133711

IUPACN-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2CCC(Cl)CC2)c(C)c1
InChIInChI=1S/C17H24ClNO/c1-11-8-12(2)16(13(3)9-11)17(20)19-10-14-4-6-15(18)7-5-14/h8-9,14-15H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyHTCRETAXJQYAMN-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.14
Rot. Bonds3

About N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide

N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide (PubChem CID 106133711) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide
PubChem CID106133711
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2CCC(Cl)CC2)c(C)c1
InChIInChI=1S/C17H24ClNO/c1-11-8-12(2)16(13(3)9-11)17(20)19-10-14-4-6-15(18)7-5-14/h8-9,14-15H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyHTCRETAXJQYAMN-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide 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-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106134544
N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106123345
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
N-[(4-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106123427
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895885
2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid
CID 166380585
2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
CID 91612182
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide (CID 106133711) is N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCC2CCC(Cl)CC2)c(C)c1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The InChIKey is HTCRETAXJQYAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-11-8-12(2)16(13(3)9-11)17(20)19-10-14-4-6-15(18)7-5-14/h8-9,14-15H,4-7,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide has a molecular weight of 293.84 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 106133711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).