2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C11H14ClNO — CID 2450177

IUPAC2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CCl)cc1
InChIInChI=1S/C11H14ClNO/c1-9-3-5-10(6-4-9)8-13(2)11(14)7-12/h3-6H,7-8H2,1-2H3
InChIKeyJRGVHXBRCSLGFA-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.19
Rot. Bonds3

About 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 2450177) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID2450177
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CCl)cc1
InChIInChI=1S/C11H14ClNO/c1-9-3-5-10(6-4-9)8-13(2)11(14)7-12/h3-6H,7-8H2,1-2H3
InChIKeyJRGVHXBRCSLGFA-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
CID 166403235
2-chloro-N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115162099
4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
CID 60812217
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
3-chloro-N,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide
CID 62726574
4-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 166815657
2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide
CID 166429853
3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide
CID 100559271
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115181103
2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 79463095

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 2450177) is 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is JRGVHXBRCSLGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-9-3-5-10(6-4-9)8-13(2)11(14)7-12/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 211.69 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 2450177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).