3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide

C16H24F2N2O — CID 63185041

IUPAC3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NC(C)CC(C)C)cc1F
InChIInChI=1S/C16H24F2N2O/c1-5-6-19-15-13(17)8-12(9-14(15)18)16(21)20-11(4)7-10(2)3/h8-11,19H,5-7H2,1-4H3,(H,20,21)
InChIKeySQNDCWVOJRBZLB-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.95
Rot. Bonds7

About 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide

3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide (PubChem CID 63185041) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
PubChem CID63185041
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NC(C)CC(C)C)cc1F
InChIInChI=1S/C16H24F2N2O/c1-5-6-19-15-13(17)8-12(9-14(15)18)16(21)20-11(4)7-10(2)3/h8-11,19H,5-7H2,1-4H3,(H,20,21)
InChIKeySQNDCWVOJRBZLB-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
CID 63184100
3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide
CID 63187095
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720
4-(ethylamino)-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 63183722
N-(4-bromopentan-2-yl)-3,4,5-trifluorobenzamide
CID 113376787
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
CID 83016710
3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane
CID 162064632
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
N-(4-methylpentan-2-yl)-3,5-dinitrobenzamide
CID 86117687
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide
CID 63185488
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide?
The IUPAC name of 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide (CID 63185041) is 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide?
The canonical SMILES for 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide is CCCNc1c(F)cc(C(=O)NC(C)CC(C)C)cc1F.
What is the InChIKey of 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide?
The InChIKey is SQNDCWVOJRBZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-5-6-19-15-13(17)8-12(9-14(15)18)16(21)20-11(4)7-10(2)3/h8-11,19H,5-7H2,1-4H3,(H,20,21).
What are the key properties of 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide?
3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide has a molecular weight of 298.38 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide is sourced from PubChem (CID 63185041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).