2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide

C13H14F4N2O2 — CID 103732850

IUPAC2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C13H14F4N2O2/c1-3-10(20)18-8-5-4-7(2)9(6-8)19-12(21)13(16,17)11(14)15/h4-6,11H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDSNSFXFLIMTLCP-UHFFFAOYSA-N
MW306.26 g/mol
LogP3.18
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide

2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide (PubChem CID 103732850) has the molecular formula C13H14F4N2O2 and a molecular weight of 306.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
PubChem CID103732850
Molecular FormulaC13H14F4N2O2
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC Name2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C13H14F4N2O2/c1-3-10(20)18-8-5-4-7(2)9(6-8)19-12(21)13(16,17)11(14)15/h4-6,11H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDSNSFXFLIMTLCP-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103733189
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide (CID 103732850) is 2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide?
The InChIKey is DSNSFXFLIMTLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O2/c1-3-10(20)18-8-5-4-7(2)9(6-8)19-12(21)13(16,17)11(14)15/h4-6,11H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide has a molecular weight of 306.26 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 103732850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).