N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide

C13H11BrN2O3 — CID 110866599

IUPACN-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)NC(=O)c1ccco1
InChIInChI=1S/C13H11BrN2O3/c1-8-7-9(14)4-5-10(8)15-13(18)16-12(17)11-3-2-6-19-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyCQMBNECUBICTTI-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.31
Rot. Bonds2

About N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide

N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide (PubChem CID 110866599) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide
PubChem CID110866599
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC NameN-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)NC(=O)c1ccco1
InChIInChI=1S/C13H11BrN2O3/c1-8-7-9(14)4-5-10(8)15-13(18)16-12(17)11-3-2-6-19-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyCQMBNECUBICTTI-UHFFFAOYSA-N
XLogP3.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide
CID 110866381
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[(4-bromo-2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 3322322
N-[(2-chlorophenyl)carbamoyl]furan-2-carboxamide
CID 110866393
N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208780
5-bromo-2-(furan-2-carbonylamino)benzoate
CID 7046155
N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 103274678
[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate
CID 1234570
N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
CID 110792461
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide?
The IUPAC name of N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide (CID 110866599) is N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide is Cc1cc(Br)ccc1NC(=O)NC(=O)c1ccco1.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide?
The InChIKey is CQMBNECUBICTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-8-7-9(14)4-5-10(8)15-13(18)16-12(17)11-3-2-6-19-11/h2-7H,1H3,(H2,15,16,17,18).
What are the key properties of N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide?
N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide has a molecular weight of 323.15 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide is sourced from PubChem (CID 110866599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).