2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid

C15H16ClNO2 — CID 82363967

IUPAC2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1cc(C)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2/c1-3-13(15(18)19)17-9-10(2)8-14(17)11-4-6-12(16)7-5-11/h4-9,13H,3H2,1-2H3,(H,18,19)
InChIKeyYFMVOLSWYLVXNV-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.15
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid

2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid (PubChem CID 82363967) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid
PubChem CID82363967
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1cc(C)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2/c1-3-13(15(18)19)17-9-10(2)8-14(17)11-4-6-12(16)7-5-11/h4-9,13H,3H2,1-2H3,(H,18,19)
InChIKeyYFMVOLSWYLVXNV-UHFFFAOYSA-N
XLogP4.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,4-dimethylphenyl)-4-methylpyrrol-1-yl]butanoic acid
CID 82363990
(2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid
CID 94750722
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid
CID 102547341
2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]butanoic acid
CID 82099050
2-[5-(4-fluoro-3-methylphenyl)triazol-1-yl]butanoic acid
CID 82222561
2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid
CID 82063264
2-(2-phenylimidazol-1-yl)butanoic acid
CID 61069183
2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid
CID 82146642
2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid
CID 82212086
2-(4-chlorophenyl)sulfinylbutanoic acid
CID 61304522
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7212618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid (CID 82363967) is 2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid is CCC(C(=O)O)n1cc(C)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid?
The InChIKey is YFMVOLSWYLVXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-3-13(15(18)19)17-9-10(2)8-14(17)11-4-6-12(16)7-5-11/h4-9,13H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid?
2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid has a molecular weight of 277.75 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid is sourced from PubChem (CID 82363967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).