1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid

C17H12ClNO2 — CID 82362681

IUPAC1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccccc2Cl)c1-c1ccccc1
InChIInChI=1S/C17H12ClNO2/c18-14-8-4-5-9-15(14)19-11-10-13(17(20)21)16(19)12-6-2-1-3-7-12/h1-11H,(H,20,21)
InChIKeyURHARAFRJOLVHC-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.50
Rot. Bonds3

About 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid

1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid (PubChem CID 82362681) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid
PubChem CID82362681
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccccc2Cl)c1-c1ccccc1
InChIInChI=1S/C17H12ClNO2/c18-14-8-4-5-9-15(14)19-11-10-13(17(20)21)16(19)12-6-2-1-3-7-12/h1-11H,(H,20,21)
InChIKeyURHARAFRJOLVHC-UHFFFAOYSA-N
XLogP4.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic 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

1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid
CID 82362678
1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 77231600
3-chlorophthalic acid;phthalic acid
CID 174649164
4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid
CID 114603238
1-(2-chlorophenyl)pyrrole-3-carboxylic acid
CID 933589
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
1,4-dichlorobenzene;phthalic acid
CID 146444395
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
2-chloro-4-phenylbenzoic acid
CID 21487426
phthalic acid;hydrobromide
CID 71236392
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid (CID 82362681) is 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid is O=C(O)c1ccn(-c2ccccc2Cl)c1-c1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid?
The InChIKey is URHARAFRJOLVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-14-8-4-5-9-15(14)19-11-10-13(17(20)21)16(19)12-6-2-1-3-7-12/h1-11H,(H,20,21).
What are the key properties of 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid?
1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid is sourced from PubChem (CID 82362681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).