N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide

C16H15F2NO3 — CID 934563

IUPACN-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C16H15F2NO3/c1-2-21-12-7-5-6-11(10-12)15(20)19-13-8-3-4-9-14(13)22-16(17)18/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeyXJKOXAURWYAIBG-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide

N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide (PubChem CID 934563) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
PubChem CID934563
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C16H15F2NO3/c1-2-21-12-7-5-6-11(10-12)15(20)19-13-8-3-4-9-14(13)22-16(17)18/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeyXJKOXAURWYAIBG-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

N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide
CID 2067465
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N-[2-(difluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 953096
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
3-(2-amino-2-oxoethoxy)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 35680500
[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-(2-methylpropoxy)benzoate
CID 8957831

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide (CID 934563) is N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide?
The InChIKey is XJKOXAURWYAIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-2-21-12-7-5-6-11(10-12)15(20)19-13-8-3-4-9-14(13)22-16(17)18/h3-10,16H,2H2,1H3,(H,19,20).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide?
N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide 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 N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide is sourced from PubChem (CID 934563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).