3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide

C19H22F2N2O — CID 119717498

IUPAC3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
SMILESCC(C(=O)N(C)C(C)c1cc(F)ccc1F)C(N)c1ccccc1
InChIInChI=1S/C19H22F2N2O/c1-12(18(22)14-7-5-4-6-8-14)19(24)23(3)13(2)16-11-15(20)9-10-17(16)21/h4-13,18H,22H2,1-3H3
InChIKeyLBSPOYTWUAARSM-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.82
Rot. Bonds5

About 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide

3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide (PubChem CID 119717498) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
PubChem CID119717498
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
SMILESCC(C(=O)N(C)C(C)c1cc(F)ccc1F)C(N)c1ccccc1
InChIInChI=1S/C19H22F2N2O/c1-12(18(22)14-7-5-4-6-8-14)19(24)23(3)13(2)16-11-15(20)9-10-17(16)21/h4-13,18H,22H2,1-3H3
InChIKeyLBSPOYTWUAARSM-UHFFFAOYSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119710675
(2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide
CID 87040432
3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119717391
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46588913
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 46591635
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119737212
3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 105396542
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
3-amino-N,2-dimethyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 119689419

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide (CID 119717498) is 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide is CC(C(=O)N(C)C(C)c1cc(F)ccc1F)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is LBSPOYTWUAARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-12(18(22)14-7-5-4-6-8-14)19(24)23(3)13(2)16-11-15(20)9-10-17(16)21/h4-13,18H,22H2,1-3H3.
What are the key properties of 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide?
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 332.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 119717498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).