N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide

C10H12F2N2O — CID 18727074

IUPACN-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide
SMILESNCCNC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O/c11-8-2-1-7(5-9(8)12)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyOAQKXEXTCACDOJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.58
Rot. Bonds4

About N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide

N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 18727074) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide
PubChem CID18727074
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC NameN-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide
SMILESNCCNC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O/c11-8-2-1-7(5-9(8)12)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyOAQKXEXTCACDOJ-UHFFFAOYSA-N
XLogP0.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Cyclo(-Gly-Phe)
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide (CID 18727074) is N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide is NCCNC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is OAQKXEXTCACDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c11-8-2-1-7(5-9(8)12)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide?
N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 214.22 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 18727074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).