2-chloro-2-(3-methoxyphenyl)-N-methylacetamide

C10H12ClNO2 — CID 10036152

IUPAC2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1cccc(OC)c1
InChIInChI=1S/C10H12ClNO2/c1-12-10(13)9(11)7-4-3-5-8(6-7)14-2/h3-6,9H,1-2H3,(H,12,13)
InChIKeyNGQNJWOWHHVYNY-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.72
Rot. Bonds3

About 2-chloro-2-(3-methoxyphenyl)-N-methylacetamide

2-chloro-2-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 10036152) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-2-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
PubChem CID10036152
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1cccc(OC)c1
InChIInChI=1S/C10H12ClNO2/c1-12-10(13)9(11)7-4-3-5-8(6-7)14-2/h3-6,9H,1-2H3,(H,12,13)
InChIKeyNGQNJWOWHHVYNY-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.72
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

2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 62225305
2-chloro-2-(3-methoxyphenyl)acetyl chloride
CID 14169390
2-chloro-N-methyl-2-(3-methylphenyl)acetamide
CID 62224564
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 60934244
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
CID 62224047
(2S)-2-hydroxy-2-(3-methoxyphenyl)acetohydrazide
CID 124673307
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-2-(3-methoxyphenyl)-N-methylacetamide (CID 10036152) is 2-chloro-2-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-2-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-2-(3-methoxyphenyl)-N-methylacetamide is CNC(=O)C(Cl)c1cccc(OC)c1.
What is the InChIKey of 2-chloro-2-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is NGQNJWOWHHVYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-12-10(13)9(11)7-4-3-5-8(6-7)14-2/h3-6,9H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-2-(3-methoxyphenyl)-N-methylacetamide?
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 213.66 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 10036152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).