N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

C18H17F3N2O2 — CID 2450403

IUPACN,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H17F3N2O2/c1-10-4-5-11(2)12(8-10)18(25)23(3)9-15(24)22-14-7-6-13(19)16(20)17(14)21/h4-8H,9H2,1-3H3,(H,22,24)
InChIKeyWAJVEWAQQUSVJF-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.43
Rot. Bonds4

About N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (PubChem CID 2450403) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
PubChem CID2450403
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H17F3N2O2/c1-10-4-5-11(2)12(8-10)18(25)23(3)9-15(24)22-14-7-6-13(19)16(20)17(14)21/h4-8H,9H2,1-3H3,(H,22,24)
InChIKeyWAJVEWAQQUSVJF-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9043121
2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27786720
N,2,5-trimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220591
2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 30329201
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
2-[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197603
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide
CID 27786711
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The IUPAC name of N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (CID 2450403) is N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.
What is the SMILES notation for N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The canonical SMILES for N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is Cc1ccc(C)c(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The InChIKey is WAJVEWAQQUSVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-10-4-5-11(2)12(8-10)18(25)23(3)9-15(24)22-14-7-6-13(19)16(20)17(14)21/h4-8H,9H2,1-3H3,(H,22,24).
What are the key properties of N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is sourced from PubChem (CID 2450403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).