[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone

C17H10Cl2FNO — CID 102498223

IUPAC[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H10Cl2FNO/c18-12-4-1-10(2-5-12)17(22)14-9-21-8-13(14)11-3-6-16(20)15(19)7-11/h1-9,21H
InChIKeyQRWJMLVQSFVHHW-UHFFFAOYSA-N
MW334.18 g/mol
LogP5.36
Rot. Bonds3

About [4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone

[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone (PubChem CID 102498223) has the molecular formula C17H10Cl2FNO and a molecular weight of 334.18 g/mol. Its IUPAC name is [4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone
PubChem CID102498223
Molecular FormulaC17H10Cl2FNO
Molecular Weight334.18 g/mol
Exact Mass333.01
IUPAC Name[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H10Cl2FNO/c18-12-4-1-10(2-5-12)17(22)14-9-21-8-13(14)11-3-6-16(20)15(19)7-11/h1-9,21H
InChIKeyQRWJMLVQSFVHHW-UHFFFAOYSA-N
XLogP5.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.18
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
(3-bromophenyl)-[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]methanone
CID 90645643
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
methyl 4-(3-chloro-4-fluorophenyl)-3-fluorobenzoate
CID 75488399
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218901
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(3-chloro-4-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 82875840

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone (CID 102498223) is [4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of [4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is QRWJMLVQSFVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FNO/c18-12-4-1-10(2-5-12)17(22)14-9-21-8-13(14)11-3-6-16(20)15(19)7-11/h1-9,21H.
What are the key properties of [4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone?
[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 334.18 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 102498223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).