N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide

C17H24ClNO — CID 106133406

IUPACN-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2CCC(Cl)CC2)cc1C
InChIInChI=1S/C17H24ClNO/c1-12-3-4-15(9-13(12)2)10-17(20)19-11-14-5-7-16(18)8-6-14/h3-4,9,14,16H,5-8,10-11H2,1-2H3,(H,19,20)
InChIKeyWHLMNHRXXKKMAZ-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.76
Rot. Bonds4

About N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide

N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 106133406) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
PubChem CID106133406
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2CCC(Cl)CC2)cc1C
InChIInChI=1S/C17H24ClNO/c1-12-3-4-15(9-13(12)2)10-17(20)19-11-14-5-7-16(18)8-6-14/h3-4,9,14,16H,5-8,10-11H2,1-2H3,(H,19,20)
InChIKeyWHLMNHRXXKKMAZ-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 64929808
1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 106121365
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106124207
N-[(4-chlorocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 106133730
N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106133711
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide
CID 115636641
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide (CID 106133406) is N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NCC2CCC(Cl)CC2)cc1C.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is WHLMNHRXXKKMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-12-3-4-15(9-13(12)2)10-17(20)19-11-14-5-7-16(18)8-6-14/h3-4,9,14,16H,5-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 293.84 g/mol, XLogP of 3.76, 4 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 106133406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).