[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone

C25H20ClNO — CID 44570768

IUPAC[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)cc(-c2ccccc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H20ClNO/c1-18-23(25(28)21-10-6-3-7-11-21)16-24(20-8-4-2-5-9-20)27(18)17-19-12-14-22(26)15-13-19/h2-16H,17H2,1H3
InChIKeyUUBMXYXJLNBFCN-UHFFFAOYSA-N
MW385.89 g/mol
LogP6.40
Rot. Bonds5

About [1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone

[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone (PubChem CID 44570768) has the molecular formula C25H20ClNO and a molecular weight of 385.89 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone
PubChem CID44570768
Molecular FormulaC25H20ClNO
Molecular Weight385.89 g/mol
Exact Mass385.12
IUPAC Name[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)cc(-c2ccccc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H20ClNO/c1-18-23(25(28)21-10-6-3-7-11-21)16-24(20-8-4-2-5-9-20)27(18)17-19-12-14-22(26)15-13-19/h2-16H,17H2,1H3
InChIKeyUUBMXYXJLNBFCN-UHFFFAOYSA-N
XLogP6.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.89
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone (CID 44570768) is [1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone is Cc1c(C(=O)c2ccccc2)cc(-c2ccccc2)n1Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone?
The InChIKey is UUBMXYXJLNBFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO/c1-18-23(25(28)21-10-6-3-7-11-21)16-24(20-8-4-2-5-9-20)27(18)17-19-12-14-22(26)15-13-19/h2-16H,17H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone?
[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone has a molecular weight of 385.89 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone is sourced from PubChem (CID 44570768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).