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

C18H14ClNO — CID 101047208

IUPAC(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone
SMILESCn1cc(C(=O)c2cccc(Cl)c2)c(-c2ccccc2)c1
InChIInChI=1S/C18H14ClNO/c1-20-11-16(13-6-3-2-4-7-13)17(12-20)18(21)14-8-5-9-15(19)10-14/h2-12H,1H3
InChIKeyLFDRFCSQDMXMNP-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.58
Rot. Bonds3

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

(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone (PubChem CID 101047208) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is (3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone
PubChem CID101047208
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone
SMILESCn1cc(C(=O)c2cccc(Cl)c2)c(-c2ccccc2)c1
InChIInChI=1S/C18H14ClNO/c1-20-11-16(13-6-3-2-4-7-13)17(12-20)18(21)14-8-5-9-15(19)10-14/h2-12H,1H3
InChIKeyLFDRFCSQDMXMNP-UHFFFAOYSA-N
XLogP4.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
3-(3-chlorophenyl)-5-(2,2-dichloroacetyl)-1-methylpyridin-4-one
CID 20548496
3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid
CID 12879285
3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 13201825
[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
CID 11289849
(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 43161643
[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
CID 102013038
3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide
CID 11200069
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide
CID 91533678
benzoic acid;3-chlorobenzoic acid
CID 162034638

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone (CID 101047208) is (3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone is Cn1cc(C(=O)c2cccc(Cl)c2)c(-c2ccccc2)c1.
What is the InChIKey of (3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone?
The InChIKey is LFDRFCSQDMXMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-20-11-16(13-6-3-2-4-7-13)17(12-20)18(21)14-8-5-9-15(19)10-14/h2-12H,1H3.
What are the key properties of (3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone?
(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone has a molecular weight of 295.77 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone is sourced from PubChem (CID 101047208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).