(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone

C17H12ClNO — CID 5325964

IUPAC(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccn(-c2ccccc2)c1
InChIInChI=1S/C17H12ClNO/c18-15-8-6-13(7-9-15)17(20)14-10-11-19(12-14)16-4-2-1-3-5-16/h1-12H
InChIKeyFJTIXIWLEFYASR-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.36
Rot. Bonds3

About (4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone

(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone (PubChem CID 5325964) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone
PubChem CID5325964
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccn(-c2ccccc2)c1
InChIInChI=1S/C17H12ClNO/c18-15-8-6-13(7-9-15)17(20)14-10-11-19(12-14)16-4-2-1-3-5-16/h1-12H
InChIKeyFJTIXIWLEFYASR-UHFFFAOYSA-N
XLogP4.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
CID 12648629
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
(4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone
CID 175238918
4-(4-chlorobenzoyl)benzaldehyde
CID 12925059
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
1-(2-chlorophenyl)pyrrole-3-carboxylic acid
CID 933589
4-(4-chlorobenzoyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 12933291
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone (CID 5325964) is (4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone is O=C(c1ccc(Cl)cc1)c1ccn(-c2ccccc2)c1.
What is the InChIKey of (4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone?
The InChIKey is FJTIXIWLEFYASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-15-8-6-13(7-9-15)17(20)14-10-11-19(12-14)16-4-2-1-3-5-16/h1-12H.
What are the key properties of (4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone?
(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone has a molecular weight of 281.74 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone is sourced from PubChem (CID 5325964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).