4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide

C19H19F4NO5 — CID 9261772

IUPAC4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2ccc(OC(F)F)c(OC)c2)ccc1OC(F)F
InChIInChI=1S/C19H19F4NO5/c1-3-27-16-9-12(5-7-14(16)29-19(22)23)17(25)24-10-11-4-6-13(28-18(20)21)15(8-11)26-2/h4-9,18-19H,3,10H2,1-2H3,(H,24,25)
InChIKeySYTZDOQPCPRIFK-UHFFFAOYSA-N
MW417.36 g/mol
LogP4.23
Rot. Bonds10

About 4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide

4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide (PubChem CID 9261772) has the molecular formula C19H19F4NO5 and a molecular weight of 417.36 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
PubChem CID9261772
Molecular FormulaC19H19F4NO5
Molecular Weight417.36 g/mol
Exact Mass417.12
IUPAC Name4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2ccc(OC(F)F)c(OC)c2)ccc1OC(F)F
InChIInChI=1S/C19H19F4NO5/c1-3-27-16-9-12(5-7-14(16)29-19(22)23)17(25)24-10-11-4-6-13(28-18(20)21)15(8-11)26-2/h4-9,18-19H,3,10H2,1-2H3,(H,24,25)
InChIKeySYTZDOQPCPRIFK-UHFFFAOYSA-N
XLogP4.23
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24553274
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 31553468
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide
CID 42119354
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 17424349
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46420991

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide (CID 9261772) is 4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide is CCOc1cc(C(=O)NCc2ccc(OC(F)F)c(OC)c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide?
The InChIKey is SYTZDOQPCPRIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO5/c1-3-27-16-9-12(5-7-14(16)29-19(22)23)17(25)24-10-11-4-6-13(28-18(20)21)15(8-11)26-2/h4-9,18-19H,3,10H2,1-2H3,(H,24,25).
What are the key properties of 4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide?
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide has a molecular weight of 417.36 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide is sourced from PubChem (CID 9261772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).