[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone

C18H14ClNO — CID 19021727

IUPAC[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone
SMILESCn1ccc(-c2ccc(Cl)cc2)c1C(=O)c1ccccc1
InChIInChI=1S/C18H14ClNO/c1-20-12-11-16(13-7-9-15(19)10-8-13)17(20)18(21)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyQJURXKWRZPOLCK-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.58
Rot. Bonds3

About [3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone

[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone (PubChem CID 19021727) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone
PubChem CID19021727
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone
SMILESCn1ccc(-c2ccc(Cl)cc2)c1C(=O)c1ccccc1
InChIInChI=1S/C18H14ClNO/c1-20-12-11-16(13-7-9-15(19)10-8-13)17(20)18(21)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyQJURXKWRZPOLCK-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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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone (CID 19021727) is [3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone is Cn1ccc(-c2ccc(Cl)cc2)c1C(=O)c1ccccc1.
What is the InChIKey of [3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone?
The InChIKey is QJURXKWRZPOLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-20-12-11-16(13-7-9-15(19)10-8-13)17(20)18(21)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of [3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone?
[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone 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-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 19021727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).