2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C12H10ClFN2OS — CID 110284893

IUPAC2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1c(F)cccc1Cl
InChIInChI=1S/C12H10ClFN2OS/c13-9-2-1-3-10(14)11(9)12(17)15-5-4-8-6-18-7-16-8/h1-3,6-7H,4-5H2,(H,15,17)
InChIKeyBDLHMSCSVBRTEI-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.91
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 110284893) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID110284893
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC Name2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1c(F)cccc1Cl
InChIInChI=1S/C12H10ClFN2OS/c13-9-2-1-3-10(14)11(9)12(17)15-5-4-8-6-18-7-16-8/h1-3,6-7H,4-5H2,(H,15,17)
InChIKeyBDLHMSCSVBRTEI-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 79773105
3-fluoro-2-(methylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63824200
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831646
2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830369
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 71974317
N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 110284893) is 2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1cscn1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is BDLHMSCSVBRTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c13-9-2-1-3-10(14)11(9)12(17)15-5-4-8-6-18-7-16-8/h1-3,6-7H,4-5H2,(H,15,17).
What are the key properties of 2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 284.74 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110284893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).