3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide

C19H22F2N2O — CID 109031875

IUPAC3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
SMILESCC(C)N(CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1
InChIInChI=1S/C19H22F2N2O/c1-14(2)23(13-15-6-4-3-5-7-15)11-10-19(24)22-16-8-9-17(20)18(21)12-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyDXRFMHZYLOQDEG-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.20
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide

3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide (PubChem CID 109031875) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
PubChem CID109031875
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
SMILESCC(C)N(CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1
InChIInChI=1S/C19H22F2N2O/c1-14(2)23(13-15-6-4-3-5-7-15)11-10-19(24)22-16-8-9-17(20)18(21)12-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyDXRFMHZYLOQDEG-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 113220993
N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139177
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024669
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
CID 109031851
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140138
N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022595

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide (CID 109031875) is 3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide is CC(C)N(CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is DXRFMHZYLOQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-14(2)23(13-15-6-4-3-5-7-15)11-10-19(24)22-16-8-9-17(20)18(21)12-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of 3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide?
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide has a molecular weight of 332.39 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 109031875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).