N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide

C13H14F4N2O2 — CID 103732776

IUPACN-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C13H14F4N2O2/c1-7(2)18-10(20)8-4-3-5-9(6-8)19-12(21)13(16,17)11(14)15/h3-7,11H,1-2H3,(H,18,20)(H,19,21)
InChIKeyJMKDEIWAIVNUEP-UHFFFAOYSA-N
MW306.26 g/mol
LogP2.66
Rot. Bonds5

About N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide

N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide (PubChem CID 103732776) has the molecular formula C13H14F4N2O2 and a molecular weight of 306.26 g/mol. Its IUPAC name is N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide
PubChem CID103732776
Molecular FormulaC13H14F4N2O2
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC NameN-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C13H14F4N2O2/c1-7(2)18-10(20)8-4-3-5-9(6-8)19-12(21)13(16,17)11(14)15/h3-7,11H,1-2H3,(H,18,20)(H,19,21)
InChIKeyJMKDEIWAIVNUEP-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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

3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 2992974

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide?
The IUPAC name of N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide (CID 103732776) is N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide.
What is the SMILES notation for N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide?
The canonical SMILES for N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide is CC(C)NC(=O)c1cccc(NC(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide?
The InChIKey is JMKDEIWAIVNUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O2/c1-7(2)18-10(20)8-4-3-5-9(6-8)19-12(21)13(16,17)11(14)15/h3-7,11H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide?
N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide has a molecular weight of 306.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide is sourced from PubChem (CID 103732776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).