3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid

C13H9Cl2NO4 — CID 82831071

IUPAC3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2c(Cl)cc(C(=O)O)cc2Cl)o1
InChIInChI=1S/C13H9Cl2NO4/c1-6-2-3-10(20-6)12(17)16-11-8(14)4-7(13(18)19)5-9(11)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyXPDMUONXRNELKJ-UHFFFAOYSA-N
MW314.12 g/mol
LogP3.85
Rot. Bonds3

About 3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid

3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid (PubChem CID 82831071) has the molecular formula C13H9Cl2NO4 and a molecular weight of 314.12 g/mol. Its IUPAC name is 3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
PubChem CID82831071
Molecular FormulaC13H9Cl2NO4
Molecular Weight314.12 g/mol
Exact Mass312.99
IUPAC Name3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2c(Cl)cc(C(=O)O)cc2Cl)o1
InChIInChI=1S/C13H9Cl2NO4/c1-6-2-3-10(20-6)12(17)16-11-8(14)4-7(13(18)19)5-9(11)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyXPDMUONXRNELKJ-UHFFFAOYSA-N
XLogP3.85
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid
CID 82830924
3-iodo-5-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 113352902
3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 63112090
4-bromo-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 107812493
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 82810639
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923
N-(2-chloro-4,5-dimethoxyphenyl)-5-methylfuran-2-carboxamide
CID 18139943
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
3,5-dichloro-4-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 82811849
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771
2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 103791548

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid (CID 82831071) is 3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2c(Cl)cc(C(=O)O)cc2Cl)o1.
What is the InChIKey of 3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The InChIKey is XPDMUONXRNELKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4/c1-6-2-3-10(20-6)12(17)16-11-8(14)4-7(13(18)19)5-9(11)15/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid has a molecular weight of 314.12 g/mol, XLogP of 3.85, 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-[(5-methylfuran-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 82831071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).