4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid

C18H13Cl2NO2 — CID 14739396

IUPAC4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2Cl)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2NO2/c19-14-7-5-12(6-8-14)15-10-21(11-16(15)18(22)23)9-13-3-1-2-4-17(13)20/h1-8,10-11H,9H2,(H,22,23)
InChIKeyOVOKJUDCNTVBTD-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.21
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid

4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid (PubChem CID 14739396) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid
PubChem CID14739396
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2Cl)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2NO2/c19-14-7-5-12(6-8-14)15-10-21(11-16(15)18(22)23)9-13-3-1-2-4-17(13)20/h1-8,10-11H,9H2,(H,22,23)
InChIKeyOVOKJUDCNTVBTD-UHFFFAOYSA-N
XLogP5.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-[(2-chlorophenyl)methyl]-4-(4-methoxyphenyl)pyrrole-3-carboxylate
CID 14739378
[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
CID 11289849
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
[4-(4-chlorophenyl)-1-prop-2-enylpyrrol-3-yl]-phenylmethanone
CID 11151401
methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495613
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
1,4-dichlorobenzene;phthalic acid
CID 146444395
2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid
CID 53225323
(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone
CID 142342439
bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone
CID 174504769
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
2-aminoethanol;2-chlorobenzoic acid
CID 86075909

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid (CID 14739396) is 4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid is O=C(O)c1cn(Cc2ccccc2Cl)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid?
The InChIKey is OVOKJUDCNTVBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c19-14-7-5-12(6-8-14)15-10-21(11-16(15)18(22)23)9-13-3-1-2-4-17(13)20/h1-8,10-11H,9H2,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid?
4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid has a molecular weight of 346.21 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 14739396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).