(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide

C12H16F2N2O — CID 79025345

IUPAC(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O/c1-3-11(15)12(17)16-7(2)9-6-8(13)4-5-10(9)14/h4-7,11H,3,15H2,1-2H3,(H,16,17)/t7?,11-/m0/s1
InChIKeyOOXKAWJKQWDZKH-QRIDDKLISA-N
MW242.27 g/mol
LogP1.88
Rot. Bonds4

About (2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide

(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide (PubChem CID 79025345) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
PubChem CID79025345
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O/c1-3-11(15)12(17)16-7(2)9-6-8(13)4-5-10(9)14/h4-7,11H,3,15H2,1-2H3,(H,16,17)/t7?,11-/m0/s1
InChIKeyOOXKAWJKQWDZKH-QRIDDKLISA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
CID 43699624
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 55126066
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62852524
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195587
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
CID 114327764
2-[1-(2,5-difluorophenyl)ethylamino]acetamide
CID 16773661
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide (CID 79025345) is (2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide is CC[C@H](N)C(=O)NC(C)c1cc(F)ccc1F.
What is the InChIKey of (2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide?
The InChIKey is OOXKAWJKQWDZKH-QRIDDKLISA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-3-11(15)12(17)16-7(2)9-6-8(13)4-5-10(9)14/h4-7,11H,3,15H2,1-2H3,(H,16,17)/t7?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide?
(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide has a molecular weight of 242.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide is sourced from PubChem (CID 79025345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).