2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide

C11H14F2N2O — CID 115152492

IUPAC2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
SMILESCC(N)C(=O)NCCc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O/c1-7(14)11(16)15-5-4-8-6-9(12)2-3-10(8)13/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyPNKJNLXLNNQYNY-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.97
Rot. Bonds4

About 2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide

2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide (PubChem CID 115152492) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
PubChem CID115152492
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
SMILESCC(N)C(=O)NCCc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O/c1-7(14)11(16)15-5-4-8-6-9(12)2-3-10(8)13/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyPNKJNLXLNNQYNY-UHFFFAOYSA-N
XLogP0.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)ethylurea
CID 115168493
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189941

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide (CID 115152492) is 2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide is CC(N)C(=O)NCCc1cc(F)ccc1F.
What is the InChIKey of 2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide?
The InChIKey is PNKJNLXLNNQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7(14)11(16)15-5-4-8-6-9(12)2-3-10(8)13/h2-3,6-7H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide?
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide has a molecular weight of 228.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide is sourced from PubChem (CID 115152492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).