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

C18H14ClF3N2O2 — CID 108806013

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)noc2c1
InChIInChI=1S/C18H14ClF3N2O2/c1-9-5-10(2)17-14(24-26-15(17)6-9)8-16(25)23-13-7-11(18(20,21)22)3-4-12(13)19/h3-7H,8H2,1-2H3,(H,23,25)
InChIKeyFFZBIUVVDJSRGS-UHFFFAOYSA-N
MW382.77 g/mol
LogP5.30
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108806013) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108806013
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)noc2c1
InChIInChI=1S/C18H14ClF3N2O2/c1-9-5-10(2)17-14(24-26-15(17)6-9)8-16(25)23-13-7-11(18(20,21)22)3-4-12(13)19/h3-7H,8H2,1-2H3,(H,23,25)
InChIKeyFFZBIUVVDJSRGS-UHFFFAOYSA-N
XLogP5.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.77
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide 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-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 100630513
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 18872134
N-(4-bromo-3-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805971
ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794230
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 108794350
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 110650696
4-[[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 108794325
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
CID 108945653
N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794252
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000084
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108806013) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)noc2c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is FFZBIUVVDJSRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c1-9-5-10(2)17-14(24-26-15(17)6-9)8-16(25)23-13-7-11(18(20,21)22)3-4-12(13)19/h3-7H,8H2,1-2H3,(H,23,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 382.77 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108806013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).