1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

C19H13ClFNO2S — CID 58541218

IUPAC1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)Cc1cc(Cl)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C19H13ClFNO2S/c20-13-5-6-15(19(24)16-3-1-2-4-17(16)21)12(9-13)10-14(23)11-18-22-7-8-25-18/h1-9H,10-11H2
InChIKeyAMPYRRHHRSLPSP-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.52
Rot. Bonds6

About 1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541218) has the molecular formula C19H13ClFNO2S and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541218
Molecular FormulaC19H13ClFNO2S
Molecular Weight373.84 g/mol
Exact Mass373.03
IUPAC Name1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)Cc1cc(Cl)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C19H13ClFNO2S/c20-13-5-6-15(19(24)16-3-1-2-4-17(16)21)12(9-13)10-14(23)11-18-22-7-8-25-18/h1-9H,10-11H2
InChIKeyAMPYRRHHRSLPSP-UHFFFAOYSA-N
XLogP4.52
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 112731600
1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541459
1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541250
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
2-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110715660
1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one
CID 10732947
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
CID 105122735
methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate
CID 58541557
1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 79824667

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541218) is 1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is O=C(Cc1nccs1)Cc1cc(Cl)ccc1C(=O)c1ccccc1F.
What is the InChIKey of 1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is AMPYRRHHRSLPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO2S/c20-13-5-6-15(19(24)16-3-1-2-4-17(16)21)12(9-13)10-14(23)11-18-22-7-8-25-18/h1-9H,10-11H2.
What are the key properties of 1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 373.84 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).