N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide

C14H18F3NO3 — CID 78909661

IUPACN-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
SMILESCCOC(CNC(=O)c1ccc(C(F)(F)F)cc1)OCC
InChIInChI=1S/C14H18F3NO3/c1-3-20-12(21-4-2)9-18-13(19)10-5-7-11(8-6-10)14(15,16)17/h5-8,12H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyHTTRBSXSXBJCTR-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.83
Rot. Bonds7

About N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide

N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide (PubChem CID 78909661) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
PubChem CID78909661
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC NameN-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
SMILESCCOC(CNC(=O)c1ccc(C(F)(F)F)cc1)OCC
InChIInChI=1S/C14H18F3NO3/c1-3-20-12(21-4-2)9-18-13(19)10-5-7-11(8-6-10)14(15,16)17/h5-8,12H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyHTTRBSXSXBJCTR-UHFFFAOYSA-N
XLogP2.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-(2,2-diethoxyethyl)benzamide
CID 78909770
N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide
CID 106288527
4-bromo-N-(2,2-diethoxyethyl)-3-fluorobenzamide
CID 79547974
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726717
3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
1-[3,5-bis(trifluoromethyl)phenyl]-3-(2,2-diethoxyethyl)thiourea
CID 127097937
N-(2-amino-2-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 63767271
dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium
CID 2408731

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide (CID 78909661) is N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide is CCOC(CNC(=O)c1ccc(C(F)(F)F)cc1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is HTTRBSXSXBJCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-3-20-12(21-4-2)9-18-13(19)10-5-7-11(8-6-10)14(15,16)17/h5-8,12H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide?
N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 305.30 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 78909661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).