3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid

C12H7BrFNO4 — CID 60748683

IUPAC3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C12H7BrFNO4/c13-10-4-3-9(19-10)11(16)15-8-5-6(12(17)18)1-2-7(8)14/h1-5H,(H,15,16)(H,17,18)
InChIKeyZRDGPNDJPRTDOJ-UHFFFAOYSA-N
MW328.09 g/mol
LogP3.13
Rot. Bonds3

About 3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid

3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid (PubChem CID 60748683) has the molecular formula C12H7BrFNO4 and a molecular weight of 328.09 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid
PubChem CID60748683
Molecular FormulaC12H7BrFNO4
Molecular Weight328.09 g/mol
Exact Mass326.95
IUPAC Name3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C12H7BrFNO4/c13-10-4-3-9(19-10)11(16)15-8-5-6(12(17)18)1-2-7(8)14/h1-5H,(H,15,16)(H,17,18)
InChIKeyZRDGPNDJPRTDOJ-UHFFFAOYSA-N
XLogP3.13
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.09
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
CID 75414482
5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide
CID 47244153
3-[(3-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 60748935
4-bromo-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 107812493
3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 81457052
5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide
CID 103766854
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
CID 117075165
3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 16787412
5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
CID 64781074
5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 3473060

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid (CID 60748683) is 3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid is O=C(O)c1ccc(F)c(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid?
The InChIKey is ZRDGPNDJPRTDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO4/c13-10-4-3-9(19-10)11(16)15-8-5-6(12(17)18)1-2-7(8)14/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid?
3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid has a molecular weight of 328.09 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 60748683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).