N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide

C18H14ClFN2OS — CID 108737631

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
SMILESO=C(NCc1csc(Cc2ccccc2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C18H14ClFN2OS/c19-14-7-4-8-15(20)17(14)18(23)21-10-13-11-24-16(22-13)9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,23)
InChIKeyAFQLYKONUZJHRR-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.46
Rot. Bonds5

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide (PubChem CID 108737631) has the molecular formula C18H14ClFN2OS and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
PubChem CID108737631
Molecular FormulaC18H14ClFN2OS
Molecular Weight360.84 g/mol
Exact Mass360.05
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
SMILESO=C(NCc1csc(Cc2ccccc2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C18H14ClFN2OS/c19-14-7-4-8-15(20)17(14)18(23)21-10-13-11-24-16(22-13)9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,23)
InChIKeyAFQLYKONUZJHRR-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
CID 108760464
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-5-nitrobenzamide
CID 108737623
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108809739
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 108737563
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108737663
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide (CID 108737631) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide is O=C(NCc1csc(Cc2ccccc2)n1)c1c(F)cccc1Cl.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide?
The InChIKey is AFQLYKONUZJHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2OS/c19-14-7-4-8-15(20)17(14)18(23)21-10-13-11-24-16(22-13)9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,23).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide has a molecular weight of 360.84 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 108737631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).