(4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone

C17H12ClNO — CID 822957

IUPAC(4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1ccccc1
InChIInChI=1S/C17H12ClNO/c18-14-8-6-13(7-9-14)17(20)16-11-19-10-15(16)12-4-2-1-3-5-12/h1-11,19H
InChIKeyDDHSEXGSZAHIIZ-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.57
Rot. Bonds3

About (4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone

(4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone (PubChem CID 822957) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone
PubChem CID822957
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name(4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1ccccc1
InChIInChI=1S/C17H12ClNO/c18-14-8-6-13(7-9-14)17(20)16-11-19-10-15(16)12-4-2-1-3-5-12/h1-11,19H
InChIKeyDDHSEXGSZAHIIZ-UHFFFAOYSA-N
XLogP4.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone (CID 822957) is (4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone is O=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1ccccc1.
What is the InChIKey of (4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone?
The InChIKey is DDHSEXGSZAHIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-14-8-6-13(7-9-14)17(20)16-11-19-10-15(16)12-4-2-1-3-5-12/h1-11,19H.
What are the key properties of (4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone?
(4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone has a molecular weight of 281.74 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 822957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).