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

C17H12BrClN2O2 — CID 100829833

IUPACN-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(-c3ccccc3Br)o2)c(Cl)c1
InChIInChI=1S/C17H12BrClN2O2/c18-12-4-2-1-3-11(12)15-7-8-16(23-15)17(22)21-14-6-5-10(20)9-13(14)19/h1-9H,20H2,(H,21,22)
InChIKeyPFHAWUGTNKCGTC-UHFFFAOYSA-N
MW391.65 g/mol
LogP5.20
Rot. Bonds3

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

N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide (PubChem CID 100829833) has the molecular formula C17H12BrClN2O2 and a molecular weight of 391.65 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
PubChem CID100829833
Molecular FormulaC17H12BrClN2O2
Molecular Weight391.65 g/mol
Exact Mass389.98
IUPAC NameN-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(-c3ccccc3Br)o2)c(Cl)c1
InChIInChI=1S/C17H12BrClN2O2/c18-12-4-2-1-3-11(12)15-7-8-16(23-15)17(22)21-14-6-5-10(20)9-13(14)19/h1-9H,20H2,(H,21,22)
InChIKeyPFHAWUGTNKCGTC-UHFFFAOYSA-N
XLogP5.20
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.65
LogP ≤ 55.20
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-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 91687442
N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100817426
5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882532
N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 91687495
N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 91687558
N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide
CID 79095779
N-(2-benzoyl-4-bromophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 5262426
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
5-(2-chlorophenyl)-N-(2-cyanophenyl)furan-2-carboxamide
CID 944882

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide (CID 100829833) is N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide is Nc1ccc(NC(=O)c2ccc(-c3ccccc3Br)o2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide?
The InChIKey is PFHAWUGTNKCGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2O2/c18-12-4-2-1-3-11(12)15-7-8-16(23-15)17(22)21-14-6-5-10(20)9-13(14)19/h1-9H,20H2,(H,21,22).
What are the key properties of N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide?
N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide has a molecular weight of 391.65 g/mol, XLogP of 5.20, 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-(2-bromophenyl)furan-2-carboxamide is sourced from PubChem (CID 100829833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).