N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide

C17H12Cl2N2O2 — CID 100829850

IUPACN-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C17H12Cl2N2O2/c18-13-3-1-2-12(16(13)19)14-8-9-15(23-14)17(22)21-11-6-4-10(20)5-7-11/h1-9H,20H2,(H,21,22)
InChIKeyXLIMAUZUXMCVTL-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.09
Rot. Bonds3

About N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide

N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide (PubChem CID 100829850) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
PubChem CID100829850
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC NameN-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C17H12Cl2N2O2/c18-13-3-1-2-12(16(13)19)14-8-9-15(23-14)17(22)21-11-6-4-10(20)5-7-11/h1-9H,20H2,(H,21,22)
InChIKeyXLIMAUZUXMCVTL-UHFFFAOYSA-N
XLogP5.09
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
CID 5070053
N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 91687558
5-(2,3-dichlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17319475
N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1395394
5-(2,3-dichlorophenyl)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1396155
5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide
CID 1422030
5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 25276463
5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17117093
methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate
CID 3641679
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1277633

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide (CID 100829850) is N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide is Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1.
What is the InChIKey of N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The InChIKey is XLIMAUZUXMCVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-13-3-1-2-12(16(13)19)14-8-9-15(23-14)17(22)21-11-6-4-10(20)5-7-11/h1-9H,20H2,(H,21,22).
What are the key properties of N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide has a molecular weight of 347.20 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 100829850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).