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

C19H17BrN2O2 — CID 100817322

IUPACN-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(N)c3)o2)c(Br)c1
InChIInChI=1S/C19H17BrN2O2/c1-11-3-6-14(15(20)9-11)17-7-8-18(24-17)19(23)22-13-5-4-12(2)16(21)10-13/h3-10H,21H2,1-2H3,(H,22,23)
InChIKeyHKKQDGAGUVAVKI-UHFFFAOYSA-N
MW385.26 g/mol
LogP5.16
Rot. Bonds3

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

N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide (PubChem CID 100817322) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
PubChem CID100817322
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC NameN-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(N)c3)o2)c(Br)c1
InChIInChI=1S/C19H17BrN2O2/c1-11-3-6-14(15(20)9-11)17-7-8-18(24-17)19(23)22-13-5-4-12(2)16(21)10-13/h3-10H,21H2,1-2H3,(H,22,23)
InChIKeyHKKQDGAGUVAVKI-UHFFFAOYSA-N
XLogP5.16
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.26
LogP ≤ 55.16
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-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 100817326
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
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
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3872686
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689995
5-[2-bromo-4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688551
5-(2-bromo-4-methoxyphenyl)furan-2-carbohydrazide
CID 50879299

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide (CID 100817322) is N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(N)c3)o2)c(Br)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide?
The InChIKey is HKKQDGAGUVAVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-11-3-6-14(15(20)9-11)17-7-8-18(24-17)19(23)22-13-5-4-12(2)16(21)10-13/h3-10H,21H2,1-2H3,(H,22,23).
What are the key properties of N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide?
N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide has a molecular weight of 385.26 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 100817322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).