N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide

C14H8ClFN2O2 — CID 110728878

IUPACN-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1ccc2ncoc2c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H8ClFN2O2/c15-9-2-1-3-10(16)13(9)14(19)18-8-4-5-11-12(6-8)20-7-17-11/h1-7H,(H,18,19)
InChIKeyKKYFANRQWQYTSN-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.87
Rot. Bonds2

About N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide

N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide (PubChem CID 110728878) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
PubChem CID110728878
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC NameN-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1ccc2ncoc2c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H8ClFN2O2/c15-9-2-1-3-10(16)13(9)14(19)18-8-4-5-11-12(6-8)20-7-17-11/h1-7H,(H,18,19)
InChIKeyKKYFANRQWQYTSN-UHFFFAOYSA-N
XLogP3.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
CID 54596606
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
N-(1,3-benzoxazol-6-yl)-5-chloro-2-hydroxybenzamide
CID 175430925
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2086523
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 110744615
N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
CID 110728841
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
CID 49170067

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide (CID 110728878) is N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide is O=C(Nc1ccc2ncoc2c1)c1c(F)cccc1Cl.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide?
The InChIKey is KKYFANRQWQYTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-9-2-1-3-10(16)13(9)14(19)18-8-4-5-11-12(6-8)20-7-17-11/h1-7H,(H,18,19).
What are the key properties of N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide?
N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide has a molecular weight of 290.68 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 110728878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).