2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide

C18H21F2N3O — CID 120871923

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
SMILESNCCN(CCc1ccccc1)CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H21F2N3O/c19-15-6-7-16(20)17(12-15)22-18(24)13-23(11-9-21)10-8-14-4-2-1-3-5-14/h1-7,12H,8-11,13,21H2,(H,22,24)
InChIKeyHZSSNFOEHWJJTA-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.41
Rot. Bonds8

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide

2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide (PubChem CID 120871923) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
PubChem CID120871923
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
SMILESNCCN(CCc1ccccc1)CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H21F2N3O/c19-15-6-7-16(20)17(12-15)22-18(24)13-23(11-9-21)10-8-14-4-2-1-3-5-14/h1-7,12H,8-11,13,21H2,(H,22,24)
InChIKeyHZSSNFOEHWJJTA-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide
CID 120872242
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide
CID 120872604
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride
CID 120872603
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120872517
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide
CID 86860874
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
CID 120871752
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 120871651

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide (CID 120871923) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide is NCCN(CCc1ccccc1)CC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is HZSSNFOEHWJJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c19-15-6-7-16(20)17(12-15)22-18(24)13-23(11-9-21)10-8-14-4-2-1-3-5-14/h1-7,12H,8-11,13,21H2,(H,22,24).
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 333.38 g/mol, XLogP of 2.41, 8 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-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 120871923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).