N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide

C11H12F2N2O3 — CID 95577209

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
SMILESC[C@H](NC(=O)c1ccccc1OC(F)F)C(N)=O
InChIInChI=1S/C11H12F2N2O3/c1-6(9(14)16)15-10(17)7-4-2-3-5-8(7)18-11(12)13/h2-6,11H,1H3,(H2,14,16)(H,15,17)/t6-/m0/s1
InChIKeyJCKRNLDSVSGWHV-LURJTMIESA-N
MW258.22 g/mol
LogP0.89
Rot. Bonds5

About N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide (PubChem CID 95577209) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
PubChem CID95577209
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
SMILESC[C@H](NC(=O)c1ccccc1OC(F)F)C(N)=O
InChIInChI=1S/C11H12F2N2O3/c1-6(9(14)16)15-10(17)7-4-2-3-5-8(7)18-11(12)13/h2-6,11H,1H3,(H2,14,16)(H,15,17)/t6-/m0/s1
InChIKeyJCKRNLDSVSGWHV-LURJTMIESA-N
XLogP0.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide 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

2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide
CID 64991633
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
CID 113273535
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
CID 106180569
2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide
CID 46587974
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
CID 171385160
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide (CID 95577209) is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide is C[C@H](NC(=O)c1ccccc1OC(F)F)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide?
The InChIKey is JCKRNLDSVSGWHV-LURJTMIESA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-6(9(14)16)15-10(17)7-4-2-3-5-8(7)18-11(12)13/h2-6,11H,1H3,(H2,14,16)(H,15,17)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide has a molecular weight of 258.22 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 95577209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).