4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide

C13H18F2N2O — CID 80542883

IUPAC4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NC(C)c1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(6-7-16)13(18)17-9(2)12-10(14)4-3-5-11(12)15/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyMAHYKYUHNMUZGO-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.13
Rot. Bonds5

About 4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide

4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide (PubChem CID 80542883) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide
PubChem CID80542883
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NC(C)c1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(6-7-16)13(18)17-9(2)12-10(14)4-3-5-11(12)15/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyMAHYKYUHNMUZGO-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride
CID 119285523
(2S)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716488
4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 80543450
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803793
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide
CID 119343650
4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
CID 80543602
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
CID 116594933
4-amino-2-methyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 80543438
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
N-[1-(2,6-difluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79286334

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide (CID 80542883) is 4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide is CC(CCN)C(=O)NC(C)c1c(F)cccc1F.
What is the InChIKey of 4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide?
The InChIKey is MAHYKYUHNMUZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8(6-7-16)13(18)17-9(2)12-10(14)4-3-5-11(12)15/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide?
4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide has a molecular weight of 256.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 80542883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).