(3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one

C19H16ClNO — CID 102531738

IUPAC(3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one
SMILESO=C(C[C@@H](c1ccccc1)c1ccc[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO/c20-16-10-8-15(9-11-16)19(22)13-17(18-7-4-12-21-18)14-5-2-1-3-6-14/h1-12,17,21H,13H2/t17-/m0/s1
InChIKeyHKNIQSUXAYHCOZ-KRWDZBQOSA-N
MW309.80 g/mol
LogP5.07
Rot. Bonds5

About (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one

(3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 102531738) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one
PubChem CID102531738
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name(3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one
SMILESO=C(C[C@@H](c1ccccc1)c1ccc[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO/c20-16-10-8-15(9-11-16)19(22)13-17(18-7-4-12-21-18)14-5-2-1-3-6-14/h1-12,17,21H,13H2/t17-/m0/s1
InChIKeyHKNIQSUXAYHCOZ-KRWDZBQOSA-N
XLogP5.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one 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

(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
CID 102531736
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone
CID 57131437
2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]propanedioic acid
CID 67292277
3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
CID 15639390
(2S)-2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanoic acid
CID 1483970
4-(4-chlorophenyl)-2-(3-fluorophenyl)-4-oxobutanoic acid
CID 2764251
1,5-dichloro-2,4-bis(1H-pyrrol-2-yl)pentan-3-one
CID 174516218

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one (CID 102531738) is (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one is O=C(C[C@@H](c1ccccc1)c1ccc[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is HKNIQSUXAYHCOZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16ClNO/c20-16-10-8-15(9-11-16)19(22)13-17(18-7-4-12-21-18)14-5-2-1-3-6-14/h1-12,17,21H,13H2/t17-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one?
(3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 309.80 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 102531738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).