2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride

C19H24ClF2N3O — CID 120872603

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)CC(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C19H23F2N3O.ClH/c20-17-10-16(11-18(21)12-17)13-23-19(25)14-24(9-7-22)8-6-15-4-2-1-3-5-15;/h1-5,10-12H,6-9,13-14,22H2,(H,23,25);1H
InChIKeyIGKKRHCVNZEHGP-UHFFFAOYSA-N
MW383.87 g/mol
LogP2.51
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride (PubChem CID 120872603) has the molecular formula C19H24ClF2N3O and a molecular weight of 383.87 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride
PubChem CID120872603
Molecular FormulaC19H24ClF2N3O
Molecular Weight383.87 g/mol
Exact Mass383.16
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)CC(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C19H23F2N3O.ClH/c20-17-10-16(11-18(21)12-17)13-23-19(25)14-24(9-7-22)8-6-15-4-2-1-3-5-15;/h1-5,10-12H,6-9,13-14,22H2,(H,23,25);1H
InChIKeyIGKKRHCVNZEHGP-UHFFFAOYSA-N
XLogP2.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide
CID 120872604
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 120872033
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 120871923
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 120872602
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
CID 120871752
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 120872551
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120872517
2-[2-aminoethyl(2-phenylethyl)amino]-N-(dicyclopropylmethyl)acetamide;hydrochloride
CID 120871709
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride (CID 120872603) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride is Cl.NCCN(CCc1ccccc1)CC(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is IGKKRHCVNZEHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O.ClH/c20-17-10-16(11-18(21)12-17)13-23-19(25)14-24(9-7-22)8-6-15-4-2-1-3-5-15;/h1-5,10-12H,6-9,13-14,22H2,(H,23,25);1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride has a molecular weight of 383.87 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120872603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).