(2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone

C17H12ClNO — CID 175257797

IUPAC(2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-n2cccc2)cc1Cl
InChIInChI=1S/C17H12ClNO/c18-16-12-14(19-10-4-5-11-19)8-9-15(16)17(20)13-6-2-1-3-7-13/h1-12H
InChIKeyRTCPNTUJUQYPCM-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.36
Rot. Bonds3

About (2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone

(2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone (PubChem CID 175257797) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is (2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone
PubChem CID175257797
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name(2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-n2cccc2)cc1Cl
InChIInChI=1S/C17H12ClNO/c18-16-12-14(19-10-4-5-11-19)8-9-15(16)17(20)13-6-2-1-3-7-13/h1-12H
InChIKeyRTCPNTUJUQYPCM-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

(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride
CID 134110659
(4-benzoyl-3-chlorophenyl)methanesulfinic acid
CID 174403864
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone
CID 21497416
2-(3-benzoyl-4-chlorophenyl)propanoic acid
CID 135074554
[2-chloro-5-(methylamino)phenyl]-phenylmethanone
CID 21314189
(2,5-dichloro-4-pyridinyl)-phenylmethanone
CID 6421230
4-benzoyl-2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 140914000
1-(2-chloro-5-pyrrol-1-ylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 166258815
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone?
The IUPAC name of (2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone (CID 175257797) is (2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone.
What is the SMILES notation for (2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone?
The canonical SMILES for (2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(-n2cccc2)cc1Cl.
What is the InChIKey of (2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone?
The InChIKey is RTCPNTUJUQYPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-16-12-14(19-10-4-5-11-19)8-9-15(16)17(20)13-6-2-1-3-7-13/h1-12H.
What are the key properties of (2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone?
(2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone 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 (2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone is sourced from PubChem (CID 175257797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).