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

C17H11Cl2F3N2O2 — CID 91677726

IUPACN-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1
InChIInChI=1S/C17H11Cl2F3N2O2/c1-2-24(16(25)17(20,21)22)11-5-3-4-9(6-11)15-23-13-8-10(18)7-12(19)14(13)26-15/h3-8H,2H2,1H3
InChIKeyTZRFTAWHVNOZGL-UHFFFAOYSA-N
MW403.19 g/mol
LogP5.72
Rot. Bonds3

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

N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 91677726) has the molecular formula C17H11Cl2F3N2O2 and a molecular weight of 403.19 g/mol. Its IUPAC name is N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID91677726
Molecular FormulaC17H11Cl2F3N2O2
Molecular Weight403.19 g/mol
Exact Mass402.01
IUPAC NameN-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1
InChIInChI=1S/C17H11Cl2F3N2O2/c1-2-24(16(25)17(20,21)22)11-5-3-4-9(6-11)15-23-13-8-10(18)7-12(19)14(13)26-15/h3-8H,2H2,1H3
InChIKeyTZRFTAWHVNOZGL-UHFFFAOYSA-N
XLogP5.72
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.19
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91677723
N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334878
N-[2-(3,5-dichloro-4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]-N-ethyl-2,2,2-trifluoroacetamide
CID 91677643
N-[2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]-N-ethyl-2,2,2-trifluoroacetamide
CID 91677651
3-(5,7-dichloro-1,3-benzoxazol-2-yl)benzaldehyde
CID 50850274
N-[2-(2-bromophenyl)-7-methyl-1,3-benzoxazol-5-yl]-N-ethyl-2,2,2-trifluoroacetamide
CID 91677593
methyl 2-chloro-4-(5,7-dichloro-1,3-benzoxazol-2-yl)benzoate
CID 50850835
[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone
CID 50850765
4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol
CID 136658117
5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 94980518
7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 94980359
N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3928148

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide (CID 91677726) is N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide is CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1.
What is the InChIKey of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is TZRFTAWHVNOZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N2O2/c1-2-24(16(25)17(20,21)22)11-5-3-4-9(6-11)15-23-13-8-10(18)7-12(19)14(13)26-15/h3-8H,2H2,1H3.
What are the key properties of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide?
N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 403.19 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 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]-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91677726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).