2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid

C18H11Cl2NO4 — CID 10270857

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
SMILESO=C(Nc1ccc(-c2ccco2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2NO4/c19-11-4-5-12(14(20)9-11)17(22)21-15-6-3-10(8-13(15)18(23)24)16-2-1-7-25-16/h1-9H,(H,21,22)(H,23,24)
InChIKeyIVQFOWVLYRHJKW-UHFFFAOYSA-N
MW376.20 g/mol
LogP5.20
Rot. Bonds4

About 2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid

2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid (PubChem CID 10270857) has the molecular formula C18H11Cl2NO4 and a molecular weight of 376.20 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
PubChem CID10270857
Molecular FormulaC18H11Cl2NO4
Molecular Weight376.20 g/mol
Exact Mass375.01
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
SMILESO=C(Nc1ccc(-c2ccco2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2NO4/c19-11-4-5-12(14(20)9-11)17(22)21-15-6-3-10(8-13(15)18(23)24)16-2-1-7-25-16/h1-9H,(H,21,22)(H,23,24)
InChIKeyIVQFOWVLYRHJKW-UHFFFAOYSA-N
XLogP5.20
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.20
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide
CID 142203101
2,4-dichloro-N-[3-(furan-2-yl)phenyl]benzamide
CID 168526277
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
CID 10227538
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
2-chloro-4-(furan-2-yl)-N-methylbenzamide
CID 168525512
2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344
5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683314
2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane
CID 158743170
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid (CID 10270857) is 2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid is O=C(Nc1ccc(-c2ccco2)cc1C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid?
The InChIKey is IVQFOWVLYRHJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO4/c19-11-4-5-12(14(20)9-11)17(22)21-15-6-3-10(8-13(15)18(23)24)16-2-1-7-25-16/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid has a molecular weight of 376.20 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid is sourced from PubChem (CID 10270857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).