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

C10H12ClNO — CID 9291148

IUPAC2-chloro-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CCl
InChIInChI=1S/C10H12ClNO/c1-8-4-2-3-5-9(8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyCLEDDHAOOOPHJM-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.85
Rot. Bonds3

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

2-chloro-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 9291148) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylphenyl)methyl]acetamide
PubChem CID9291148
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-chloro-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CCl
InChIInChI=1S/C10H12ClNO/c1-8-4-2-3-5-9(8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyCLEDDHAOOOPHJM-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.85
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-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162022
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604971
(E)-3-methyl-N-[(2-methylphenyl)methyl]-4-sulfanylbut-3-enamide
CID 178170772
[2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8772697
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-methylphenyl)methyl]acetamide (CID 9291148) is 2-chloro-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is CLEDDHAOOOPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-8-4-2-3-5-9(8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-[(2-methylphenyl)methyl]acetamide?
2-chloro-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 197.66 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 9291148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).