N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide

C18H14BrClN2O2 — CID 91687495

IUPACN-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(Br)cc2N)o1
InChIInChI=1S/C18H14BrClN2O2/c1-10-12(3-2-4-13(10)20)16-7-8-17(24-16)18(23)22-15-6-5-11(19)9-14(15)21/h2-9H,21H2,1H3,(H,22,23)
InChIKeyVYQSZVGYCYJRQH-UHFFFAOYSA-N
MW405.68 g/mol
LogP5.51
Rot. Bonds3

About N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide

N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide (PubChem CID 91687495) has the molecular formula C18H14BrClN2O2 and a molecular weight of 405.68 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
PubChem CID91687495
Molecular FormulaC18H14BrClN2O2
Molecular Weight405.68 g/mol
Exact Mass403.99
IUPAC NameN-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(Br)cc2N)o1
InChIInChI=1S/C18H14BrClN2O2/c1-10-12(3-2-4-13(10)20)16-7-8-17(24-16)18(23)22-15-6-5-11(19)9-14(15)21/h2-9H,21H2,1H3,(H,22,23)
InChIKeyVYQSZVGYCYJRQH-UHFFFAOYSA-N
XLogP5.51
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.68
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)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-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 91687442
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 91687558
N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide
CID 43130501
N-(2-benzoyl-4-bromophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 5262426
N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 100829833
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide
CID 100816682
5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 82344269
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
diethyl 5-[[5-(3-chloro-2-methylphenyl)furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 1016770
4-O-ethyl 2-O-methyl 5-[[5-(3-chloro-2-methylphenyl)furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 23989450

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide (CID 91687495) is N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide is Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(Br)cc2N)o1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The InChIKey is VYQSZVGYCYJRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2/c1-10-12(3-2-4-13(10)20)16-7-8-17(24-16)18(23)22-15-6-5-11(19)9-14(15)21/h2-9H,21H2,1H3,(H,22,23).
What are the key properties of N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide?
N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide has a molecular weight of 405.68 g/mol, XLogP of 5.51, 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-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 91687495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).