3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide

C19H22F2N2O — CID 119796287

IUPAC3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide
SMILESCCC(NC(=O)C(C)C(N)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H22F2N2O/c1-3-17(15-10-9-14(20)11-16(15)21)23-19(24)12(2)18(22)13-7-5-4-6-8-13/h4-12,17-18H,3,22H2,1-2H3,(H,23,24)
InChIKeyVHVUDPHKMSIWGA-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.87
Rot. Bonds6

About 3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide

3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide (PubChem CID 119796287) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide
PubChem CID119796287
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide
SMILESCCC(NC(=O)C(C)C(N)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H22F2N2O/c1-3-17(15-10-9-14(20)11-16(15)21)23-19(24)12(2)18(22)13-7-5-4-6-8-13/h4-12,17-18H,3,22H2,1-2H3,(H,23,24)
InChIKeyVHVUDPHKMSIWGA-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119721382
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884889
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852
3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide
CID 119951958
3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
CID 120611087
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
CID 80552726
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide (CID 119796287) is 3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide is CCC(NC(=O)C(C)C(N)c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide?
The InChIKey is VHVUDPHKMSIWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-3-17(15-10-9-14(20)11-16(15)21)23-19(24)12(2)18(22)13-7-5-4-6-8-13/h4-12,17-18H,3,22H2,1-2H3,(H,23,24).
What are the key properties of 3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide has a molecular weight of 332.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119796287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).