2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide

C11H13F2NO3 — CID 43418621

IUPAC2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C11H13F2NO3/c1-7(6-15)14-10(16)8-4-2-3-5-9(8)17-11(12)13/h2-5,7,11,15H,6H2,1H3,(H,14,16)
InChIKeyMCBHXQGPGPWWTL-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.40
Rot. Bonds5

About 2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide

2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 43418621) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID43418621
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C11H13F2NO3/c1-7(6-15)14-10(16)8-4-2-3-5-9(8)17-11(12)13/h2-5,7,11,15H,6H2,1H3,(H,14,16)
InChIKeyMCBHXQGPGPWWTL-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethoxy)-N-(1-hydroxypropan-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

2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide
CID 64991633
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
CID 113273535
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857424
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
CID 106180569

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide (CID 43418621) is 2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is MCBHXQGPGPWWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-7(6-15)14-10(16)8-4-2-3-5-9(8)17-11(12)13/h2-5,7,11,15H,6H2,1H3,(H,14,16).
What are the key properties of 2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide?
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 245.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 43418621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).