2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide

C13H16ClNO — CID 166419507

IUPAC2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CCl)cc1C1CC1
InChIInChI=1S/C13H16ClNO/c1-9-2-3-10(8-15-13(16)7-14)6-12(9)11-4-5-11/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyONNGMTWWHITIFE-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.73
Rot. Bonds4

About 2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide

2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide (PubChem CID 166419507) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide
PubChem CID166419507
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CCl)cc1C1CC1
InChIInChI=1S/C13H16ClNO/c1-9-2-3-10(8-15-13(16)7-14)6-12(9)11-4-5-11/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyONNGMTWWHITIFE-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.73
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

2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide
CID 166415827
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
2-chloro-N-[(4-cyclopropyl-2-methylphenyl)methyl]acetamide
CID 166429838
2-chloro-N-[(3-cyclopropyl-2-methylphenyl)methyl]acetamide
CID 166430876
2-chloro-N-[(3,5-dimethylphenyl)methyl]acetamide
CID 12767964
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide
CID 166408399
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide (CID 166419507) is 2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CCl)cc1C1CC1.
What is the InChIKey of 2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide?
The InChIKey is ONNGMTWWHITIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9-2-3-10(8-15-13(16)7-14)6-12(9)11-4-5-11/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide?
2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide has a molecular weight of 237.73 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 166419507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).