4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide

C18H18F3NO3 — CID 24553274

IUPAC4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1OC(F)F
InChIInChI=1S/C18H18F3NO3/c1-3-24-16-9-13(6-7-15(16)25-18(20)21)17(23)22-10-12-5-4-11(2)14(19)8-12/h4-9,18H,3,10H2,1-2H3,(H,22,23)
InChIKeyDHZZAIRJKQMLMP-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.06
Rot. Bonds7

About 4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide

4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide (PubChem CID 24553274) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
PubChem CID24553274
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1OC(F)F
InChIInChI=1S/C18H18F3NO3/c1-3-24-16-9-13(6-7-15(16)25-18(20)21)17(23)22-10-12-5-4-11(2)14(19)8-12/h4-9,18H,3,10H2,1-2H3,(H,22,23)
InChIKeyDHZZAIRJKQMLMP-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712088
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate
CID 8920037
N-[(3,4-diethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 99997707
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 31553468
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide (CID 24553274) is 4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide is CCOc1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The InChIKey is DHZZAIRJKQMLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-3-24-16-9-13(6-7-15(16)25-18(20)21)17(23)22-10-12-5-4-11(2)14(19)8-12/h4-9,18H,3,10H2,1-2H3,(H,22,23).
What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide has a molecular weight of 353.34 g/mol, XLogP of 4.06, 7 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-[(3-fluoro-4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 24553274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).