N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide

C13H13ClN2O2 — CID 79095779

IUPACN-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(N)cc2Cl)o1
InChIInChI=1S/C13H13ClN2O2/c1-2-9-4-6-12(18-9)13(17)16-11-5-3-8(15)7-10(11)14/h3-7H,2,15H2,1H3,(H,16,17)
InChIKeyPNNLAPXFUHNHHH-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.33
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide

N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide (PubChem CID 79095779) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide
PubChem CID79095779
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(N)cc2Cl)o1
InChIInChI=1S/C13H13ClN2O2/c1-2-9-4-6-12(18-9)13(17)16-11-5-3-8(15)7-10(11)14/h3-7H,2,15H2,1H3,(H,16,17)
InChIKeyPNNLAPXFUHNHHH-UHFFFAOYSA-N
XLogP3.33
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-chlorophenyl)-5-ethylfuran-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-(4-amino-2-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79095434
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
5-ethyl-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 112726930
N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
CID 54594630
4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
CID 43351217
5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783
2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid
CID 43172269
N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 100829833
N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985766
5-ethyl-N-(4-fluoro-2-methoxyphenyl)furan-2-carboxamide
CID 47170065
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 100828257
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide (CID 79095779) is N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(N)cc2Cl)o1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide?
The InChIKey is PNNLAPXFUHNHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-9-4-6-12(18-9)13(17)16-11-5-3-8(15)7-10(11)14/h3-7H,2,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide?
N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 79095779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).