2-chloro-N-[(3-methoxyphenyl)methyl]acetamide

C10H12ClNO2 — CID 4839545

IUPAC2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CCl)c1
InChIInChI=1S/C10H12ClNO2/c1-14-9-4-2-3-8(5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyJFXGGZWVOFOWRL-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.55
Rot. Bonds4

About 2-chloro-N-[(3-methoxyphenyl)methyl]acetamide

2-chloro-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 4839545) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID4839545
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CCl)c1
InChIInChI=1S/C10H12ClNO2/c1-14-9-4-2-3-8(5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyJFXGGZWVOFOWRL-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.55
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

N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
2-chloro-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 166403692
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
CID 2212242
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-methoxyphenyl)methyl]acetamide (CID 4839545) is 2-chloro-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is JFXGGZWVOFOWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-9-4-2-3-8(5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-[(3-methoxyphenyl)methyl]acetamide?
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 213.66 g/mol, XLogP of 1.55, 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-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4839545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).