N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide

C18H20F2N2O — CID 120886814

IUPACN-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C18H20F2N2O/c19-16-7-4-8-17(20)15(16)13-18(23)22(12-10-21)11-9-14-5-2-1-3-6-14/h1-8H,9-13,21H2
InChIKeyVJVMAAOGTWARDI-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.54
Rot. Bonds7

About N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide

N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide (PubChem CID 120886814) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide
PubChem CID120886814
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C18H20F2N2O/c19-16-7-4-8-17(20)15(16)13-18(23)22(12-10-21)11-9-14-5-2-1-3-6-14/h1-8H,9-13,21H2
InChIKeyVJVMAAOGTWARDI-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
N-(2-aminoethyl)-2-(2,6-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120885592
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(2-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885855
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
CID 120885216
N-(2-aminoethyl)-2-(2-fluorophenoxy)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884947
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide (CID 120886814) is N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide is NCCN(CCc1ccccc1)C(=O)Cc1c(F)cccc1F.
What is the InChIKey of N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide?
The InChIKey is VJVMAAOGTWARDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c19-16-7-4-8-17(20)15(16)13-18(23)22(12-10-21)11-9-14-5-2-1-3-6-14/h1-8H,9-13,21H2.
What are the key properties of N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide?
N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide has a molecular weight of 318.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 120886814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).