2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide

C12H16F2N2O2 — CID 43146665

IUPAC2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-7(2)10(15)11(17)16-8-5-3-4-6-9(8)18-12(13)14/h3-7,10,12H,15H2,1-2H3,(H,16,17)
InChIKeyHQUOFOQIUFETIM-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.21
Rot. Bonds5

About 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide

2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide (PubChem CID 43146665) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
PubChem CID43146665
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-7(2)10(15)11(17)16-8-5-3-4-6-9(8)18-12(13)14/h3-7,10,12H,15H2,1-2H3,(H,16,17)
InChIKeyHQUOFOQIUFETIM-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 8946649
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 116674736
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55518336
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622069
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443694

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide (CID 43146665) is 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide is CC(C)C(N)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide?
The InChIKey is HQUOFOQIUFETIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7(2)10(15)11(17)16-8-5-3-4-6-9(8)18-12(13)14/h3-7,10,12H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide?
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide has a molecular weight of 258.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide is sourced from PubChem (CID 43146665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).