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

C17H10BrF2NO — CID 90645643

IUPAC(3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone
SMILESO=C(c1cccc(Br)c1)c1c[nH]cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H10BrF2NO/c18-12-3-1-2-11(6-12)17(22)14-9-21-8-13(14)10-4-5-15(19)16(20)7-10/h1-9,21H
InChIKeyHPRICTKKVYHOKK-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.95
Rot. Bonds3

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

(3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone (PubChem CID 90645643) has the molecular formula C17H10BrF2NO and a molecular weight of 362.17 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone
PubChem CID90645643
Molecular FormulaC17H10BrF2NO
Molecular Weight362.17 g/mol
Exact Mass360.99
IUPAC Name(3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone
SMILESO=C(c1cccc(Br)c1)c1c[nH]cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H10BrF2NO/c18-12-3-1-2-11(6-12)17(22)14-9-21-8-13(14)10-4-5-15(19)16(20)7-10/h1-9,21H
InChIKeyHPRICTKKVYHOKK-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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Related Compounds

[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone
CID 102498223
[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]-(2-nitrophenyl)methanone
CID 90645743
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
[4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone
CID 90646188
4-(3-bromobenzoyl)-1H-pyrrole-2-carboxylic acid
CID 18526081
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone
CID 116591705
[3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone
CID 15437557
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
1-(3-bromophenyl)-2-(1H-pyrrol-3-yl)ethane-1,2-dione
CID 59772668
(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
CID 10831406
bis[3-(3-bromophenyl)phenyl]methanone;methane
CID 158177415

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone (CID 90645643) is (3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone is O=C(c1cccc(Br)c1)c1c[nH]cc1-c1ccc(F)c(F)c1.
What is the InChIKey of (3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone?
The InChIKey is HPRICTKKVYHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF2NO/c18-12-3-1-2-11(6-12)17(22)14-9-21-8-13(14)10-4-5-15(19)16(20)7-10/h1-9,21H.
What are the key properties of (3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone?
(3-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 (3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 90645643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).