2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide

C23H21F2NO2 — CID 18225114

IUPAC2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C23H21F2NO2/c24-23(25)28-21-14-8-7-13-20(21)22(27)26-16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19,23H,15-16H2,(H,26,27)
InChIKeyCUCMVKVYULWPEI-UHFFFAOYSA-N
MW381.42 g/mol
LogP5.24
Rot. Bonds8

About 2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide

2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide (PubChem CID 18225114) has the molecular formula C23H21F2NO2 and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
PubChem CID18225114
Molecular FormulaC23H21F2NO2
Molecular Weight381.42 g/mol
Exact Mass381.15
IUPAC Name2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C23H21F2NO2/c24-23(25)28-21-14-8-7-13-20(21)22(27)26-16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19,23H,15-16H2,(H,26,27)
InChIKeyCUCMVKVYULWPEI-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
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
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
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
CID 106307192

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide (CID 18225114) is 2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide?
The InChIKey is CUCMVKVYULWPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO2/c24-23(25)28-21-14-8-7-13-20(21)22(27)26-16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19,23H,15-16H2,(H,26,27).
What are the key properties of 2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide?
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide has a molecular weight of 381.42 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide is sourced from PubChem (CID 18225114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).