2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide

C18H13Cl2FN2OS — CID 7518421

IUPAC2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2FN2OS/c19-12-3-6-15(16(20)9-12)17(24)22-8-7-14-10-25-18(23-14)11-1-4-13(21)5-2-11/h1-6,9-10H,7-8H2,(H,22,24)
InChIKeyQPCILKZWDBFMQG-UHFFFAOYSA-N
MW395.29 g/mol
LogP5.23
Rot. Bonds5

About 2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide

2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7518421) has the molecular formula C18H13Cl2FN2OS and a molecular weight of 395.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7518421
Molecular FormulaC18H13Cl2FN2OS
Molecular Weight395.29 g/mol
Exact Mass394.01
IUPAC Name2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2FN2OS/c19-12-3-6-15(16(20)9-12)17(24)22-8-7-14-10-25-18(23-14)11-1-4-13(21)5-2-11/h1-6,9-10H,7-8H2,(H,22,24)
InChIKeyQPCILKZWDBFMQG-UHFFFAOYSA-N
XLogP5.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
CID 7518434
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 35573590
2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
CID 108771045
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-ethoxybenzamide
CID 7518325
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 7518407
N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522151
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate
CID 8664153
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539
2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7518338

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7518421) is 2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide is O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is QPCILKZWDBFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2OS/c19-12-3-6-15(16(20)9-12)17(24)22-8-7-14-10-25-18(23-14)11-1-4-13(21)5-2-11/h1-6,9-10H,7-8H2,(H,22,24).
What are the key properties of 2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 395.29 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7518421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).