4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide

C16H15F2NO3 — CID 3461612

IUPAC4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2)ccc1OC(F)F
InChIInChI=1S/C16H15F2NO3/c1-2-21-14-10-11(8-9-13(14)22-16(17)18)15(20)19-12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeyCKEAMDZJQNYMQM-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.94
Rot. Bonds6

About 4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide

4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide (PubChem CID 3461612) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
PubChem CID3461612
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2)ccc1OC(F)F
InChIInChI=1S/C16H15F2NO3/c1-2-21-14-10-11(8-9-13(14)22-16(17)18)15(20)19-12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeyCKEAMDZJQNYMQM-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide
CID 9072147
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 8502589
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 2532367
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588
N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 24649811

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide (CID 3461612) is 4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide is CCOc1cc(C(=O)Nc2ccccc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide?
The InChIKey is CKEAMDZJQNYMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-2-21-14-10-11(8-9-13(14)22-16(17)18)15(20)19-12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,19,20).
What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide?
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide has a molecular weight of 307.30 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide is sourced from PubChem (CID 3461612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).