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

C18H17F3N2O3 — CID 60575123

IUPAC4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-11-3-8-15(16(9-11)26-10-18(19,20)21)23-17(25)13-4-6-14(7-5-13)22-12(2)24/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQZDDNMUZURHVNZ-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.15
Rot. Bonds5

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

4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 60575123) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID60575123
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-11-3-8-15(16(9-11)26-10-18(19,20)21)23-17(25)13-4-6-14(7-5-13)22-12(2)24/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQZDDNMUZURHVNZ-UHFFFAOYSA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575314
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 60575158
N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 55891215
3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide
CID 60575096
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate
CID 170985606
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide
CID 76869273
1-(4-hydroxy-2,2-dimethylbutyl)-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111474236
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 60575123) is 4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1.
What is the InChIKey of 4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is QZDDNMUZURHVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11-3-8-15(16(9-11)26-10-18(19,20)21)23-17(25)13-4-6-14(7-5-13)22-12(2)24/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 366.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 60575123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).