N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide

C17H24ClNO — CID 103969602

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C17H24ClNO/c1-14-7-3-4-8-15(14)11-16(20)19-13-17(12-18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,19,20)
InChIKeyFRWVEUYFPWEUPV-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.84
Rot. Bonds5

About N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide (PubChem CID 103969602) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
PubChem CID103969602
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C17H24ClNO/c1-14-7-3-4-8-15(14)11-16(20)19-13-17(12-18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,19,20)
InChIKeyFRWVEUYFPWEUPV-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.84
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-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
CID 119259809
1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
CID 103969522
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide
CID 103969430
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide (CID 103969602) is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCC1(CCl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is FRWVEUYFPWEUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-14-7-3-4-8-15(14)11-16(20)19-13-17(12-18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,19,20).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 293.84 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 103969602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).