2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C18H18F3NO3 — CID 30293453

IUPAC2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO3/c1-2-24-16-6-4-3-5-15(16)17(23)22-11-13-7-9-14(10-8-13)25-12-18(19,20)21/h3-10H,2,11-12H2,1H3,(H,22,23)
InChIKeyZYSVPKWUOULZTL-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.96
Rot. Bonds7

About 2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 30293453) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID30293453
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO3/c1-2-24-16-6-4-3-5-15(16)17(23)22-11-13-7-9-14(10-8-13)25-12-18(19,20)21/h3-10H,2,11-12H2,1H3,(H,22,23)
InChIKeyZYSVPKWUOULZTL-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30829879
[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]boronic acid
CID 140927924
2-(2-amino-2-oxoethyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 31352349
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
CID 112836023
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911235
2-chloro-N-[2-[[N'-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111871989

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 30293453) is 2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is CCOc1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is ZYSVPKWUOULZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-2-24-16-6-4-3-5-15(16)17(23)22-11-13-7-9-14(10-8-13)25-12-18(19,20)21/h3-10H,2,11-12H2,1H3,(H,22,23).
What are the key properties of 2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 353.34 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 30293453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).