N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide

C10H10ClNO3 — CID 84791687

IUPACN-(5-chloro-2-formyl-4-methoxyphenyl)acetamide
SMILESCOc1cc(C=O)c(NC(C)=O)cc1Cl
InChIInChI=1S/C10H10ClNO3/c1-6(14)12-9-4-8(11)10(15-2)3-7(9)5-13/h3-5H,1-2H3,(H,12,14)
InChIKeyHJZQLHXVUHTBFV-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.12
Rot. Bonds3

About N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide

N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide (PubChem CID 84791687) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-formyl-4-methoxyphenyl)acetamide
PubChem CID84791687
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC NameN-(5-chloro-2-formyl-4-methoxyphenyl)acetamide
SMILESCOc1cc(C=O)c(NC(C)=O)cc1Cl
InChIInChI=1S/C10H10ClNO3/c1-6(14)12-9-4-8(11)10(15-2)3-7(9)5-13/h3-5H,1-2H3,(H,12,14)
InChIKeyHJZQLHXVUHTBFV-UHFFFAOYSA-N
XLogP2.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(5-chloro-2-formyl-4-methoxyphenyl)carbamate
CID 84813438
2-acetyl-4-chloro-5-methoxybenzaldehyde
CID 171002422
methyl 3-(5-acetamido-4-formyl-2-methoxyanilino)propanoate
CID 21484835
4-chloro-5-methoxy-2-methylbenzaldehyde
CID 84769512
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
1-(5-chloro-2-formyl-4-methoxyphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea
CID 166834509
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-methoxy-5-methylphenyl]acetamide
CID 15954879
N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
CID 171363899
ethyl 2-(5-chloro-2-formyl-4-methoxyphenyl)acetate
CID 171005430
N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide
CID 87134854
N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbut-2-enamide
CID 19177485

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide?
The IUPAC name of N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide (CID 84791687) is N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide is COc1cc(C=O)c(NC(C)=O)cc1Cl.
What is the InChIKey of N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide?
The InChIKey is HJZQLHXVUHTBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-6(14)12-9-4-8(11)10(15-2)3-7(9)5-13/h3-5H,1-2H3,(H,12,14).
What are the key properties of N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide?
N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide has a molecular weight of 227.65 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide is sourced from PubChem (CID 84791687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).