(4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone

C17H10BrF2NO — CID 90645738

IUPAC(4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone
SMILESO=C(c1ccc(Br)cc1)c1c[nH]cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H10BrF2NO/c18-12-4-1-10(2-5-12)17(22)14-9-21-8-13(14)11-3-6-15(19)16(20)7-11/h1-9,21H
InChIKeyCTQNSFQICVOUQT-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.95
Rot. Bonds3

About (4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone

(4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone (PubChem CID 90645738) has the molecular formula C17H10BrF2NO and a molecular weight of 362.17 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone
PubChem CID90645738
Molecular FormulaC17H10BrF2NO
Molecular Weight362.17 g/mol
Exact Mass360.99
IUPAC Name(4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone
SMILESO=C(c1ccc(Br)cc1)c1c[nH]cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H10BrF2NO/c18-12-4-1-10(2-5-12)17(22)14-9-21-8-13(14)11-3-6-15(19)16(20)7-11/h1-9,21H
InChIKeyCTQNSFQICVOUQT-UHFFFAOYSA-N
XLogP4.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone (CID 90645738) is (4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone is O=C(c1ccc(Br)cc1)c1c[nH]cc1-c1ccc(F)c(F)c1.
What is the InChIKey of (4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone?
The InChIKey is CTQNSFQICVOUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF2NO/c18-12-4-1-10(2-5-12)17(22)14-9-21-8-13(14)11-3-6-15(19)16(20)7-11/h1-9,21H.
What are the key properties of (4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone?
(4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone has a molecular weight of 362.17 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 90645738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).