2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide

C13H19F2N3O — CID 107494405

IUPAC2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(CCN)CC(F)F
InChIInChI=1S/C13H19F2N3O/c1-10(18(8-7-16)9-12(14)15)13(19)17-11-5-3-2-4-6-11/h2-6,10,12H,7-9,16H2,1H3,(H,17,19)
InChIKeyGFSBIHWFRABBTQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.54
Rot. Bonds7

About 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide (PubChem CID 107494405) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide
PubChem CID107494405
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(CCN)CC(F)F
InChIInChI=1S/C13H19F2N3O/c1-10(18(8-7-16)9-12(14)15)13(19)17-11-5-3-2-4-6-11/h2-6,10,12H,7-9,16H2,1H3,(H,17,19)
InChIKeyGFSBIHWFRABBTQ-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
CID 107494530
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
CID 107494446
N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107479691
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
CID 107494561
2-[2-aminoethyl(cyclopentyl)amino]-N-phenylpropanamide
CID 63761281
N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107479644
2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide
CID 54988244
2-[dimethylcarbamoyl(propyl)amino]-N-phenylpropanamide
CID 75519630
2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
CID 54903541
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide (CID 107494405) is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N(CCN)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide?
The InChIKey is GFSBIHWFRABBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-10(18(8-7-16)9-12(14)15)13(19)17-11-5-3-2-4-6-11/h2-6,10,12H,7-9,16H2,1H3,(H,17,19).
What are the key properties of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide?
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide has a molecular weight of 271.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 107494405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).