N-(2-chloro-4,5-dimethoxyphenyl)acetamide

C10H12ClNO3 — CID 60709552

IUPACN-(2-chloro-4,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C10H12ClNO3/c1-6(13)12-8-5-10(15-3)9(14-2)4-7(8)11/h4-5H,1-3H3,(H,12,13)
InChIKeyXWSFBRQQYVMVPE-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.32
Rot. Bonds3

About N-(2-chloro-4,5-dimethoxyphenyl)acetamide

N-(2-chloro-4,5-dimethoxyphenyl)acetamide (PubChem CID 60709552) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)acetamide
PubChem CID60709552
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C10H12ClNO3/c1-6(13)12-8-5-10(15-3)9(14-2)4-7(8)11/h4-5H,1-3H3,(H,12,13)
InChIKeyXWSFBRQQYVMVPE-UHFFFAOYSA-N
XLogP2.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide
CID 162343437
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
CID 171363899
N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836762
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
5-acetamido-2-chloro-4-methoxybenzoic acid
CID 112757038
N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 78969253
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
CID 43040630
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
N-[2-chloro-5-methoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513212

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)acetamide (CID 60709552) is N-(2-chloro-4,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)acetamide is COc1cc(Cl)c(NC(C)=O)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)acetamide?
The InChIKey is XWSFBRQQYVMVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-6(13)12-8-5-10(15-3)9(14-2)4-7(8)11/h4-5H,1-3H3,(H,12,13).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)acetamide?
N-(2-chloro-4,5-dimethoxyphenyl)acetamide has a molecular weight of 229.66 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 60709552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).