3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid

C14H12Cl2N2O3 — CID 82810639

IUPAC3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2c(Cl)cc(C(=O)O)cc2Cl)n1C
InChIInChI=1S/C14H12Cl2N2O3/c1-7-3-4-11(18(7)2)13(19)17-12-9(15)5-8(14(20)21)6-10(12)16/h3-6H,1-2H3,(H,17,19)(H,20,21)
InChIKeyUAEWIIDTFMQXAH-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.59
Rot. Bonds3

About 3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid

3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid (PubChem CID 82810639) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
PubChem CID82810639
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2c(Cl)cc(C(=O)O)cc2Cl)n1C
InChIInChI=1S/C14H12Cl2N2O3/c1-7-3-4-11(18(7)2)13(19)17-12-9(15)5-8(14(20)21)6-10(12)16/h3-6H,1-2H3,(H,17,19)(H,20,21)
InChIKeyUAEWIIDTFMQXAH-UHFFFAOYSA-N
XLogP3.59
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 107812550
3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 82831071
3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid
CID 82830924
5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
CID 28791303
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
3,5-dichloro-4-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 82811849
4-bromo-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 60915841
3,5-dichloro-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 82830565
4-[2-[(1,5-dimethylpyrrole-2-carbonyl)amino]ethyl]benzoic acid
CID 43665791
N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide
CID 60698818
3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 82812539

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid (CID 82810639) is 3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2c(Cl)cc(C(=O)O)cc2Cl)n1C.
What is the InChIKey of 3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid?
The InChIKey is UAEWIIDTFMQXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-7-3-4-11(18(7)2)13(19)17-12-9(15)5-8(14(20)21)6-10(12)16/h3-6H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid?
3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid has a molecular weight of 327.17 g/mol, XLogP of 3.59, 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-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 82810639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).