5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide

C13H10BrFN2O3 — CID 47244153

IUPAC5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H10BrFN2O3/c1-6-8(15)4-7(12(16)18)5-9(6)17-13(19)10-2-3-11(14)20-10/h2-5H,1H3,(H2,16,18)(H,17,19)
InChIKeyQTMQCFVPYRJZKD-UHFFFAOYSA-N
MW341.14 g/mol
LogP2.84
Rot. Bonds3

About 5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide

5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide (PubChem CID 47244153) has the molecular formula C13H10BrFN2O3 and a molecular weight of 341.14 g/mol. Its IUPAC name is 5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide
PubChem CID47244153
Molecular FormulaC13H10BrFN2O3
Molecular Weight341.14 g/mol
Exact Mass339.99
IUPAC Name5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H10BrFN2O3/c1-6-8(15)4-7(12(16)18)5-9(6)17-13(19)10-2-3-11(14)20-10/h2-5H,1H3,(H2,16,18)(H,17,19)
InChIKeyQTMQCFVPYRJZKD-UHFFFAOYSA-N
XLogP2.84
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 60786943
3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid
CID 60748683
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 81227752
6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide
CID 87045715
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362899
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
5-bromo-N-[4-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112839716
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
5-bromo-N-(4-methylthiophen-3-yl)furan-2-carboxamide
CID 130992843
N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide
CID 60764727

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide (CID 47244153) is 5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide?
The InChIKey is QTMQCFVPYRJZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O3/c1-6-8(15)4-7(12(16)18)5-9(6)17-13(19)10-2-3-11(14)20-10/h2-5H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide?
5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide has a molecular weight of 341.14 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 47244153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).