N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide

C15H7Cl2F3N2O2 — CID 17334878

IUPACN-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)C(F)(F)F
InChIInChI=1S/C15H7Cl2F3N2O2/c16-8-5-10(17)12-11(6-8)22-13(24-12)7-2-1-3-9(4-7)21-14(23)15(18,19)20/h1-6H,(H,21,23)
InChIKeyIDTYGQXSVAUHGX-UHFFFAOYSA-N
MW375.13 g/mol
LogP5.30
Rot. Bonds2

About N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide

N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 17334878) has the molecular formula C15H7Cl2F3N2O2 and a molecular weight of 375.13 g/mol. Its IUPAC name is N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID17334878
Molecular FormulaC15H7Cl2F3N2O2
Molecular Weight375.13 g/mol
Exact Mass373.98
IUPAC NameN-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)C(F)(F)F
InChIInChI=1S/C15H7Cl2F3N2O2/c16-8-5-10(17)12-11(6-8)22-13(24-12)7-2-1-3-9(4-7)21-14(23)15(18,19)20/h1-6H,(H,21,23)
InChIKeyIDTYGQXSVAUHGX-UHFFFAOYSA-N
XLogP5.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.13
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 2282242
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 9185246
5-chloro-N-[[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 17315164
N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide
CID 91677726
N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3928148
2,2,2-trifluoro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 9185231
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334912
3-(5,7-dichloro-1,3-benzoxazol-2-yl)benzaldehyde
CID 50850274
2,2,2-trichloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1338293
(E)-3-(5-bromo-2-methoxyphenyl)-N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 17318633
N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
CID 30308576
4-bromo-N-[[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 17315369

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (CID 17334878) is N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)C(F)(F)F.
What is the InChIKey of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is IDTYGQXSVAUHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F3N2O2/c16-8-5-10(17)12-11(6-8)22-13(24-12)7-2-1-3-9(4-7)21-14(23)15(18,19)20/h1-6H,(H,21,23).
What are the key properties of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 375.13 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 17334878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).