2-(difluoromethoxy)-N-propylbenzamide

C11H13F2NO2 — CID 60654909

IUPAC2-(difluoromethoxy)-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C11H13F2NO2/c1-2-7-14-10(15)8-5-3-4-6-9(8)16-11(12)13/h3-6,11H,2,7H2,1H3,(H,14,15)
InChIKeyNQABBNFHPDZJSI-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.43
Rot. Bonds5

About 2-(difluoromethoxy)-N-propylbenzamide

2-(difluoromethoxy)-N-propylbenzamide (PubChem CID 60654909) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-propylbenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-propylbenzamide
PubChem CID60654909
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-(difluoromethoxy)-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C11H13F2NO2/c1-2-7-14-10(15)8-5-3-4-6-9(8)16-11(12)13/h3-6,11H,2,7H2,1H3,(H,14,15)
InChIKeyNQABBNFHPDZJSI-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
N-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-propoxy-N-propylbenzamide
CID 58831728
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-propylbenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-propylbenzamide (CID 60654909) is 2-(difluoromethoxy)-N-propylbenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-propylbenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-propylbenzamide is CCCNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-propylbenzamide?
The InChIKey is NQABBNFHPDZJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-2-7-14-10(15)8-5-3-4-6-9(8)16-11(12)13/h3-6,11H,2,7H2,1H3,(H,14,15).
What are the key properties of 2-(difluoromethoxy)-N-propylbenzamide?
2-(difluoromethoxy)-N-propylbenzamide has a molecular weight of 229.23 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-propylbenzamide is sourced from PubChem (CID 60654909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).