3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid

C12H7Cl2NO4 — CID 82830924

IUPAC3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)c(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C12H7Cl2NO4/c13-7-4-6(12(17)18)5-8(14)10(7)15-11(16)9-2-1-3-19-9/h1-5H,(H,15,16)(H,17,18)
InChIKeyFGNHQXHLHNIQSH-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.54
Rot. Bonds3

About 3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid

3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid (PubChem CID 82830924) has the molecular formula C12H7Cl2NO4 and a molecular weight of 300.10 g/mol. Its IUPAC name is 3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid
PubChem CID82830924
Molecular FormulaC12H7Cl2NO4
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)c(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C12H7Cl2NO4/c13-7-4-6(12(17)18)5-8(14)10(7)15-11(16)9-2-1-3-19-9/h1-5H,(H,15,16)(H,17,18)
InChIKeyFGNHQXHLHNIQSH-UHFFFAOYSA-N
XLogP3.54
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 82831071
N-(2,6-dibromo-4-chlorophenyl)furan-2-carboxamide
CID 4192583
3,5-dichloro-4-[3-(furan-2-yl)propanoylamino]benzoic acid
CID 82811030
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
3,5-dichloro-4-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 82811849
1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea
CID 2817468
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
3-amino-4-(furan-2-carbonylamino)benzoic acid
CID 63117282
3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 82812539
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1321810
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid?
The IUPAC name of 3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid (CID 82830924) is 3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid?
The canonical SMILES for 3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid is O=C(O)c1cc(Cl)c(NC(=O)c2ccco2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid?
The InChIKey is FGNHQXHLHNIQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO4/c13-7-4-6(12(17)18)5-8(14)10(7)15-11(16)9-2-1-3-19-9/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid?
3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid has a molecular weight of 300.10 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid is sourced from PubChem (CID 82830924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).