4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide

C17H15F3N2O2 — CID 770701

IUPAC4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N2O2/c1-11-2-4-12(5-3-11)16(24)21-10-15(23)22-14-8-6-13(7-9-14)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyPNFXPNORBFOTEA-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.38
Rot. Bonds4

About 4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide

4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 770701) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID770701
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N2O2/c1-11-2-4-12(5-3-11)16(24)21-10-15(23)22-14-8-6-13(7-9-14)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyPNFXPNORBFOTEA-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 26776083
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 4278376
2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 112999463

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide (CID 770701) is 4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is PNFXPNORBFOTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11-2-4-12(5-3-11)16(24)21-10-15(23)22-14-8-6-13(7-9-14)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 336.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 770701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).