N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide

C18H13Br2FN2O2 — CID 100816699

IUPACN-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide
SMILESCc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C18H13Br2FN2O2/c1-9-6-11(22)8-13(20)17(9)23-18(24)16-5-4-15(25-16)12-3-2-10(19)7-14(12)21/h2-8H,22H2,1H3,(H,23,24)
InChIKeyWVJOVYIVEVQNIQ-UHFFFAOYSA-N
MW468.12 g/mol
LogP5.75
Rot. Bonds3

About N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide

N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide (PubChem CID 100816699) has the molecular formula C18H13Br2FN2O2 and a molecular weight of 468.12 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide
PubChem CID100816699
Molecular FormulaC18H13Br2FN2O2
Molecular Weight468.12 g/mol
Exact Mass465.93
IUPAC NameN-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide
SMILESCc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C18H13Br2FN2O2/c1-9-6-11(22)8-13(20)17(9)23-18(24)16-5-4-15(25-16)12-3-2-10(19)7-14(12)21/h2-8H,22H2,1H3,(H,23,24)
InChIKeyWVJOVYIVEVQNIQ-UHFFFAOYSA-N
XLogP5.75
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.12
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)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-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100816695
N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide
CID 100816682
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
(E)-N-(4-amino-2-bromo-6-methylphenyl)-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
CID 100828433
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100817426
N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 91687442
prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate
CID 95910395
N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689995
N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 91687495
N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 100817322

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide (CID 100816699) is N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide is Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(Br)cc2F)o1.
What is the InChIKey of N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide?
The InChIKey is WVJOVYIVEVQNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2FN2O2/c1-9-6-11(22)8-13(20)17(9)23-18(24)16-5-4-15(25-16)12-3-2-10(19)7-14(12)21/h2-8H,22H2,1H3,(H,23,24).
What are the key properties of N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide?
N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide has a molecular weight of 468.12 g/mol, XLogP of 5.75, 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-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 100816699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).