3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid

C12H8Cl2N2O3 — CID 43331485

IUPAC3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid
SMILESO=C(Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc[nH]1
InChIInChI=1S/C12H8Cl2N2O3/c13-6-4-7(12(18)19)10(8(14)5-6)16-11(17)9-2-1-3-15-9/h1-5,15H,(H,16,17)(H,18,19)
InChIKeyYFEFNUBSXXSNCR-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.27
Rot. Bonds3

About 3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid

3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid (PubChem CID 43331485) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid
PubChem CID43331485
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid
SMILESO=C(Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc[nH]1
InChIInChI=1S/C12H8Cl2N2O3/c13-6-4-7(12(18)19)10(8(14)5-6)16-11(17)9-2-1-3-15-9/h1-5,15H,(H,16,17)(H,18,19)
InChIKeyYFEFNUBSXXSNCR-UHFFFAOYSA-N
XLogP3.27
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-2-[(5-iodothiophene-3-carbonyl)amino]benzoic acid
CID 79685256
3,5-dichloro-2-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid
CID 3280413
3,5-dichloro-2-(prop-2-enoylamino)benzoic acid
CID 43153770
N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 103767046
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
5-ethyl-2-(1H-pyrrole-2-carbonylamino)benzoic acid
CID 110461098
3,5-dichloro-2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid
CID 3290462
3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 43331475
N-(3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 28741153
3,5-dichloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182305
2-(but-3-enoylamino)-3,5-dichlorobenzoic acid
CID 55103432
2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
CID 43235236

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid?
The IUPAC name of 3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid (CID 43331485) is 3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid?
The canonical SMILES for 3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid is O=C(Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc[nH]1.
What is the InChIKey of 3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid?
The InChIKey is YFEFNUBSXXSNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-6-4-7(12(18)19)10(8(14)5-6)16-11(17)9-2-1-3-15-9/h1-5,15H,(H,16,17)(H,18,19).
What are the key properties of 3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid?
3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid has a molecular weight of 299.11 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid is sourced from PubChem (CID 43331485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).