2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide

C12H16ClNO2 — CID 62224229

IUPAC2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccccc1C(Cl)C(=O)NC(C)C
InChIInChI=1S/C12H16ClNO2/c1-8(2)14-12(15)11(13)9-6-4-5-7-10(9)16-3/h4-8,11H,1-3H3,(H,14,15)
InChIKeyXFZRJEGCSJWMHY-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.50
Rot. Bonds4

About 2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide

2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide (PubChem CID 62224229) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
PubChem CID62224229
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccccc1C(Cl)C(=O)NC(C)C
InChIInChI=1S/C12H16ClNO2/c1-8(2)14-12(15)11(13)9-6-4-5-7-10(9)16-3/h4-8,11H,1-3H3,(H,14,15)
InChIKeyXFZRJEGCSJWMHY-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.50
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-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 55048004
2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 62224401
N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide
CID 62224063
2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide
CID 79978332
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 22327477
2-hydroxy-3-(2-methoxyphenoxy)-N-propan-2-ylbutanamide
CID 134349437
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
1-(3-chlorobutan-2-yl)-2-methoxybenzene
CID 66470656
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide (CID 62224229) is 2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide is COc1ccccc1C(Cl)C(=O)NC(C)C.
What is the InChIKey of 2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide?
The InChIKey is XFZRJEGCSJWMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(2)14-12(15)11(13)9-6-4-5-7-10(9)16-3/h4-8,11H,1-3H3,(H,14,15).
What are the key properties of 2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide?
2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide has a molecular weight of 241.72 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 62224229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).