2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide

C13H15F2NO3 — CID 64991633

IUPAC2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2NO3/c1-3-10(17)8(2)16-12(18)9-6-4-5-7-11(9)19-13(14)15/h4-8,13H,3H2,1-2H3,(H,16,18)
InChIKeyFLWQKIIGNTYRHF-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.39
Rot. Bonds6

About 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide

2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide (PubChem CID 64991633) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide
PubChem CID64991633
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2NO3/c1-3-10(17)8(2)16-12(18)9-6-4-5-7-11(9)19-13(14)15/h4-8,13H,3H2,1-2H3,(H,16,18)
InChIKeyFLWQKIIGNTYRHF-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)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

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
CID 113273535
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
CID 106180569
N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
CID 113492971
2-(difluoromethoxy)-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 7964326
2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 78583452

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide (CID 64991633) is 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide is CCC(=O)C(C)NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide?
The InChIKey is FLWQKIIGNTYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-3-10(17)8(2)16-12(18)9-6-4-5-7-11(9)19-13(14)15/h4-8,13H,3H2,1-2H3,(H,16,18).
What are the key properties of 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide?
2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide has a molecular weight of 271.26 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide is sourced from PubChem (CID 64991633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).