4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide

C14H18F4N2O — CID 106295510

IUPAC4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCCCNc1cc(C)ccc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C14H18F4N2O/c1-3-6-19-11-7-9(2)4-5-10(11)12(21)20-8-14(17,18)13(15)16/h4-5,7,13,19H,3,6,8H2,1-2H3,(H,20,21)
InChIKeyULRKFMAIUPVSBM-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.45
Rot. Bonds7

About 4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide

4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 106295510) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID106295510
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCCCNc1cc(C)ccc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C14H18F4N2O/c1-3-6-19-11-7-9(2)4-5-10(11)12(21)20-8-14(17,18)13(15)16/h4-5,7,13,19H,3,6,8H2,1-2H3,(H,20,21)
InChIKeyULRKFMAIUPVSBM-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.45
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-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295553
5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295577
2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295346
4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528791
4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528310
4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide
CID 107415255
4-hydrazinyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295653
4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide
CID 83025152
4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586222
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289101
2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295733

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 106295510) is 4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide is CCCNc1cc(C)ccc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is ULRKFMAIUPVSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-3-6-19-11-7-9(2)4-5-10(11)12(21)20-8-14(17,18)13(15)16/h4-5,7,13,19H,3,6,8H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 306.30 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 106295510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).