N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide

C14H7ClF2N2O2 — CID 11989308

IUPACN-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide
SMILESO=C(Nc1noc2cc(Cl)ccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C14H7ClF2N2O2/c15-8-2-3-9-12(6-8)21-19-13(9)18-14(20)7-1-4-10(16)11(17)5-7/h1-6H,(H,18,19,20)
InChIKeyKKGXTZLDUAHJIT-UHFFFAOYSA-N
MW308.67 g/mol
LogP4.01
Rot. Bonds2

About N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide

N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide (PubChem CID 11989308) has the molecular formula C14H7ClF2N2O2 and a molecular weight of 308.67 g/mol. Its IUPAC name is N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide
PubChem CID11989308
Molecular FormulaC14H7ClF2N2O2
Molecular Weight308.67 g/mol
Exact Mass308.02
IUPAC NameN-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide
SMILESO=C(Nc1noc2cc(Cl)ccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C14H7ClF2N2O2/c15-8-2-3-9-12(6-8)21-19-13(9)18-14(20)7-1-4-10(16)11(17)5-7/h1-6H,(H,18,19,20)
InChIKeyKKGXTZLDUAHJIT-UHFFFAOYSA-N
XLogP4.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide (CID 11989308) is N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide is O=C(Nc1noc2cc(Cl)ccc12)c1ccc(F)c(F)c1.
What is the InChIKey of N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide?
The InChIKey is KKGXTZLDUAHJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O2/c15-8-2-3-9-12(6-8)21-19-13(9)18-14(20)7-1-4-10(16)11(17)5-7/h1-6H,(H,18,19,20).
What are the key properties of N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide?
N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide has a molecular weight of 308.67 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,2-benzoxazol-3-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 11989308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).