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

C17H11Cl3N2O2 — CID 91687558

IUPACN-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESNc1cc(Cl)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C17H11Cl3N2O2/c18-9-4-5-13(12(21)8-9)22-17(23)15-7-6-14(24-15)10-2-1-3-11(19)16(10)20/h1-8H,21H2,(H,22,23)
InChIKeyTVLIRVRUMLBYMX-UHFFFAOYSA-N
MW381.65 g/mol
LogP5.74
Rot. Bonds3

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

N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide (PubChem CID 91687558) has the molecular formula C17H11Cl3N2O2 and a molecular weight of 381.65 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
PubChem CID91687558
Molecular FormulaC17H11Cl3N2O2
Molecular Weight381.65 g/mol
Exact Mass379.99
IUPAC NameN-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESNc1cc(Cl)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C17H11Cl3N2O2/c18-9-4-5-13(12(21)8-9)22-17(23)15-7-6-14(24-15)10-2-1-3-11(19)16(10)20/h1-8H,21H2,(H,22,23)
InChIKeyTVLIRVRUMLBYMX-UHFFFAOYSA-N
XLogP5.74
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 2066709
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 91687495
5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 2065633
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1277633
methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate
CID 3641679
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 91687442
N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 100829833
N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide
CID 91674163
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17116671

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide (CID 91687558) is N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide is Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The InChIKey is TVLIRVRUMLBYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O2/c18-9-4-5-13(12(21)8-9)22-17(23)15-7-6-14(24-15)10-2-1-3-11(19)16(10)20/h1-8H,21H2,(H,22,23).
What are the key properties of N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide has a molecular weight of 381.65 g/mol, XLogP of 5.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 91687558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).