N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide

C18H15BrN2O2 — CID 100817326

IUPACN-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3cccc(N)c3)o2)c(Br)c1
InChIInChI=1S/C18H15BrN2O2/c1-11-5-6-14(15(19)9-11)16-7-8-17(23-16)18(22)21-13-4-2-3-12(20)10-13/h2-10H,20H2,1H3,(H,21,22)
InChIKeyVCIIREMXNRRLPK-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.85
Rot. Bonds3

About N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide

N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide (PubChem CID 100817326) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
PubChem CID100817326
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC NameN-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3cccc(N)c3)o2)c(Br)c1
InChIInChI=1S/C18H15BrN2O2/c1-11-5-6-14(15(19)9-11)16-7-8-17(23-16)18(22)21-13-4-2-3-12(20)10-13/h2-10H,20H2,1H3,(H,21,22)
InChIKeyVCIIREMXNRRLPK-UHFFFAOYSA-N
XLogP4.85
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.85
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-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 100817322
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689981
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100817426
N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100816695
5-(4-amino-2-bromophenyl)furan-2-carboxylic acid
CID 95911190
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3516344
1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea
CID 82757431
5-(2-bromo-4-methoxyphenyl)furan-2-carbohydrazide
CID 50879299
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 100829833

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide (CID 100817326) is N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3cccc(N)c3)o2)c(Br)c1.
What is the InChIKey of N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide?
The InChIKey is VCIIREMXNRRLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-11-5-6-14(15(19)9-11)16-7-8-17(23-16)18(22)21-13-4-2-3-12(20)10-13/h2-10H,20H2,1H3,(H,21,22).
What are the key properties of N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide?
N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide has a molecular weight of 371.23 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 100817326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).