1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone

C25H18ClNO4 — CID 90983981

IUPAC1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2c(O)c(O)c(C(=O)c3ccccc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H18ClNO4/c1-15(28)16-9-13-20(14-10-16)27-22(17-7-11-19(26)12-8-17)21(24(30)25(27)31)23(29)18-5-3-2-4-6-18/h2-14,30-31H,1H3
InChIKeyXUMFYRHNJJENFT-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.64
Rot. Bonds5

About 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone

1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone (PubChem CID 90983981) has the molecular formula C25H18ClNO4 and a molecular weight of 431.88 g/mol. Its IUPAC name is 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone
PubChem CID90983981
Molecular FormulaC25H18ClNO4
Molecular Weight431.88 g/mol
Exact Mass431.09
IUPAC Name1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2c(O)c(O)c(C(=O)c3ccccc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H18ClNO4/c1-15(28)16-9-13-20(14-10-16)27-22(17-7-11-19(26)12-8-17)21(24(30)25(27)31)23(29)18-5-3-2-4-6-18/h2-14,30-31H,1H3
InChIKeyXUMFYRHNJJENFT-UHFFFAOYSA-N
XLogP5.64
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone 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

ethyl 4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]benzoate
CID 90839503
1-[4-[3-benzoyl-2-(2-fluorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone
CID 91312709
1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone
CID 94845697
[2-(4-chlorophenyl)-4,5-dihydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrol-3-yl]-phenylmethanone
CID 123970949
5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
CID 54695653
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
3-[4-acetyl-2-(4-chlorophenyl)-5-methyl-1-(4-methylphenyl)pyrrol-3-yl]-4-hydroxypent-3-en-2-one
CID 138961600
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
[1-(1,3-benzothiazol-2-yl)-4,5-dihydroxy-2-phenylpyrrol-3-yl]-phenylmethanone
CID 123176726
[2-(2-chlorophenyl)-4,5-dihydroxy-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrol-3-yl]-(4-methoxyphenyl)methanone
CID 91504977
1-(4-chlorophenyl)-2,2-dihydroxyethanone;1-phenylethanone
CID 174917583
ethyl 4-[2,3-dihydroxy-5-phenyl-4-(1,3-thiazole-2-carbonyl)pyrrol-1-yl]benzoate
CID 136649763

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone (CID 90983981) is 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone is CC(=O)c1ccc(-n2c(O)c(O)c(C(=O)c3ccccc3)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone?
The InChIKey is XUMFYRHNJJENFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO4/c1-15(28)16-9-13-20(14-10-16)27-22(17-7-11-19(26)12-8-17)21(24(30)25(27)31)23(29)18-5-3-2-4-6-18/h2-14,30-31H,1H3.
What are the key properties of 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone?
1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone has a molecular weight of 431.88 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone is sourced from PubChem (CID 90983981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).