N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide

C19H17F3N2O3 — CID 134043379

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c1-3-10-27-15-7-4-13(5-8-15)18(26)24-17-9-6-14(23-12(2)25)11-16(17)19(20,21)22/h3-9,11H,1,10H2,2H3,(H,23,25)(H,24,26)
InChIKeyXTEONRFUEDDFCZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.48
Rot. Bonds6

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide (PubChem CID 134043379) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide
PubChem CID134043379
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c1-3-10-27-15-7-4-13(5-8-15)18(26)24-17-9-6-14(23-12(2)25)11-16(17)19(20,21)22/h3-9,11H,1,10H2,2H3,(H,23,25)(H,24,26)
InChIKeyXTEONRFUEDDFCZ-UHFFFAOYSA-N
XLogP4.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
CID 46463696
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
N-[4-iodo-2-(trifluoromethyl)phenyl]-4-propoxybenzamide
CID 3657897
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 4512796
N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 46687715
N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
CID 4945159
2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 55764324
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide (CID 134043379) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide?
The InChIKey is XTEONRFUEDDFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-3-10-27-15-7-4-13(5-8-15)18(26)24-17-9-6-14(23-12(2)25)11-16(17)19(20,21)22/h3-9,11H,1,10H2,2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide has a molecular weight of 378.35 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 134043379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).