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

C11H14ClNO2 — CID 166403835

IUPAC2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CCl)ccc1C
InChIInChI=1S/C11H14ClNO2/c1-8-3-4-9(5-10(8)15-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyXWSFRMLTCYIDKZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.86
Rot. Bonds4

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

2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide (PubChem CID 166403835) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
PubChem CID166403835
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CCl)ccc1C
InChIInChI=1S/C11H14ClNO2/c1-8-3-4-9(5-10(8)15-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyXWSFRMLTCYIDKZ-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
2-chloro-N-[(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 82110117
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide
CID 166415827
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17385923
2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide
CID 166419507
2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide (CID 166403835) is 2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide is COc1cc(CNC(=O)CCl)ccc1C.
What is the InChIKey of 2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide?
The InChIKey is XWSFRMLTCYIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8-3-4-9(5-10(8)15-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide?
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide has a molecular weight of 227.69 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 166403835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).