N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide

C20H11ClF2N2O2 — CID 54596606

IUPACN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H11ClF2N2O2/c21-14-9-17-18(27-10-24-17)8-13(14)11-4-6-12(7-5-11)25-20(26)19-15(22)2-1-3-16(19)23/h1-10H,(H,25,26)
InChIKeyPVMKBNFKQHDCCJ-UHFFFAOYSA-N
MW384.77 g/mol
LogP5.68
Rot. Bonds3

About N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide

N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide (PubChem CID 54596606) has the molecular formula C20H11ClF2N2O2 and a molecular weight of 384.77 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
PubChem CID54596606
Molecular FormulaC20H11ClF2N2O2
Molecular Weight384.77 g/mol
Exact Mass384.05
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H11ClF2N2O2/c21-14-9-17-18(27-10-24-17)8-13(14)11-4-6-12(7-5-11)25-20(26)19-15(22)2-1-3-16(19)23/h1-10H,(H,25,26)
InChIKeyPVMKBNFKQHDCCJ-UHFFFAOYSA-N
XLogP5.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.77
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
CID 110728878
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
CID 73052207
N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride
CID 24776094
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875603
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
CID 159937794
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875776
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N-(1,3-benzoxazol-6-yl)-5-chloro-2-hydroxybenzamide
CID 175430925

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide (CID 54596606) is N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide is O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1c(F)cccc1F.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide?
The InChIKey is PVMKBNFKQHDCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF2N2O2/c21-14-9-17-18(27-10-24-17)8-13(14)11-4-6-12(7-5-11)25-20(26)19-15(22)2-1-3-16(19)23/h1-10H,(H,25,26).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide?
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide has a molecular weight of 384.77 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 54596606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).