N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide

C18H17F3N2O2 — CID 110300090

IUPACN,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
SMILESCN(C)C(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-23(2)18(25)12-6-3-11(4-7-12)5-10-15(24)22-14-9-8-13(19)16(20)17(14)21/h3-4,6-9H,5,10H2,1-2H3,(H,22,24)
InChIKeyGMCSKPPVRWOMRK-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.38
Rot. Bonds5

About N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide

N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide (PubChem CID 110300090) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
PubChem CID110300090
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
SMILESCN(C)C(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-23(2)18(25)12-6-3-11(4-7-12)5-10-15(24)22-14-9-8-13(19)16(20)17(14)21/h3-4,6-9H,5,10H2,1-2H3,(H,22,24)
InChIKeyGMCSKPPVRWOMRK-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.38
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

3-(4-methylphenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16574561
3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 110468478
3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 41484942
4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110618310
3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16574669
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
4-[3-[4-(dimethylcarbamoyl)-2-ethoxyanilino]-3-oxopropyl]benzoic acid
CID 120551346
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113118886
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 4-ethylbenzoate
CID 7364824
5-bromo-N-(2,3,4-trifluorophenyl)pentanamide
CID 103601724
N,N-dimethyl-3-[2-[[N'-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111667914

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide (CID 110300090) is N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide is CN(C)C(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide?
The InChIKey is GMCSKPPVRWOMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-23(2)18(25)12-6-3-11(4-7-12)5-10-15(24)22-14-9-8-13(19)16(20)17(14)21/h3-4,6-9H,5,10H2,1-2H3,(H,22,24).
What are the key properties of N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide?
N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide is sourced from PubChem (CID 110300090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).