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

C14H17F3N2O2 — CID 18155036

IUPAC2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O2/c1-14(2,3)13(21)18-7-6-10(20)19-9-5-4-8(15)11(16)12(9)17/h4-5H,6-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOSSRFSKTGDQKKE-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.59
Rot. Bonds4

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

2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide (PubChem CID 18155036) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
PubChem CID18155036
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O2/c1-14(2,3)13(21)18-7-6-10(20)19-9-5-4-8(15)11(16)12(9)17/h4-5H,6-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOSSRFSKTGDQKKE-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109012916
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329
2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
CID 28918889
N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108940771
N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205419
2-tert-butylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 78781855
N-phenyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109033887
N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109038175
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-2-carboxylic acid
CID 43357944
N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109036338
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide (CID 18155036) is 2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide is CC(C)(C)C(=O)NCCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide?
The InChIKey is OSSRFSKTGDQKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-14(2,3)13(21)18-7-6-10(20)19-9-5-4-8(15)11(16)12(9)17/h4-5H,6-7H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide?
2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide has a molecular weight of 302.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide is sourced from PubChem (CID 18155036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).