2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide

C12H16F2N2O — CID 55094162

IUPAC2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-8(12(17)15-2)16-4-3-9-5-10(13)7-11(14)6-9/h5-8,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyCFZGZNOOIDGZGL-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.23
Rot. Bonds5

About 2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide

2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide (PubChem CID 55094162) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide
PubChem CID55094162
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-8(12(17)15-2)16-4-3-9-5-10(13)7-11(14)6-9/h5-8,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyCFZGZNOOIDGZGL-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792
2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62306110
2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 70921104
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
2-[2-(3-fluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 43401436
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine
CID 62605156
N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 62605165
2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide
CID 70921105
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide (CID 55094162) is 2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide is CNC(=O)C(C)NCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide?
The InChIKey is CFZGZNOOIDGZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(12(17)15-2)16-4-3-9-5-10(13)7-11(14)6-9/h5-8,16H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide?
2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide has a molecular weight of 242.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 55094162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).