N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide

C17H13F3N2O3 — CID 162535336

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide
SMILESCCOc1cccc(O)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O3/c1-2-25-14-5-3-4-13(23)15(14)16(24)22-11-7-6-10(9-21)12(8-11)17(18,19)20/h3-8,23H,2H2,1H3,(H,22,24)
InChIKeyLPOQDZAJGMQMGZ-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.93
Rot. Bonds4

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide (PubChem CID 162535336) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide
PubChem CID162535336
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide
SMILESCCOc1cccc(O)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O3/c1-2-25-14-5-3-4-13(23)15(14)16(24)22-11-7-6-10(9-21)12(8-11)17(18,19)20/h3-8,23H,2H2,1H3,(H,22,24)
InChIKeyLPOQDZAJGMQMGZ-UHFFFAOYSA-N
XLogP3.93
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide 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-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-(5-hydroxypentyl)benzamide
CID 162535335
N-(3-cyano-4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 100750476
2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 154678647
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide
CID 130331138
2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]butanamide
CID 65483963
3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 65484763
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
CID 67981550
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 65483573
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 65483769
N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide
CID 16770916
N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 65483586

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide (CID 162535336) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide is CCOc1cccc(O)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide?
The InChIKey is LPOQDZAJGMQMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-2-25-14-5-3-4-13(23)15(14)16(24)22-11-7-6-10(9-21)12(8-11)17(18,19)20/h3-8,23H,2H2,1H3,(H,22,24).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide has a molecular weight of 350.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide is sourced from PubChem (CID 162535336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).