N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide

C13H11ClN2O3 — CID 91674163

IUPACN-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide
SMILESCC(=O)NC(=O)c1ccc(-c2ccc(Cl)cc2N)o1
InChIInChI=1S/C13H11ClN2O3/c1-7(17)16-13(18)12-5-4-11(19-12)9-3-2-8(14)6-10(9)15/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyXOFRSIPOBYICKW-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.46
Rot. Bonds2

About N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide

N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide (PubChem CID 91674163) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide
PubChem CID91674163
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC NameN-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide
SMILESCC(=O)NC(=O)c1ccc(-c2ccc(Cl)cc2N)o1
InChIInChI=1S/C13H11ClN2O3/c1-7(17)16-13(18)12-5-4-11(19-12)9-3-2-8(14)6-10(9)15/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyXOFRSIPOBYICKW-UHFFFAOYSA-N
XLogP2.46
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide 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

N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 91687558
5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 91679597
5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678246
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 22777171
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393
N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100816695
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100817426
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 2065633
5-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 1292402

Frequently Asked Questions

What is the IUPAC name of N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide (CID 91674163) is N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide is CC(=O)NC(=O)c1ccc(-c2ccc(Cl)cc2N)o1.
What is the InChIKey of N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide?
The InChIKey is XOFRSIPOBYICKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-7(17)16-13(18)12-5-4-11(19-12)9-3-2-8(14)6-10(9)15/h2-6H,15H2,1H3,(H,16,17,18).
What are the key properties of N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide?
N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 91674163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).