4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide

C21H24F2N2O4 — CID 31235284

IUPAC4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCCc1ccc(CN(C)C(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C21H24F2N2O4/c1-4-14-5-7-15(8-6-14)13-25(2)19(26)12-24-20(27)16-9-10-17(29-21(22)23)18(11-16)28-3/h5-11,21H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyIDBPISXLHUWKIF-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.25
Rot. Bonds9

About 4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 31235284) has the molecular formula C21H24F2N2O4 and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID31235284
Molecular FormulaC21H24F2N2O4
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC Name4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCCc1ccc(CN(C)C(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C21H24F2N2O4/c1-4-14-5-7-15(8-6-14)13-25(2)19(26)12-24-20(27)16-9-10-17(29-21(22)23)18(11-16)28-3/h5-11,21H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyIDBPISXLHUWKIF-UHFFFAOYSA-N
XLogP3.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 31239710
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 55930131
5-bromo-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27781128
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide
CID 55394910
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide
CID 18276449
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide (CID 31235284) is 4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide is CCc1ccc(CN(C)C(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is IDBPISXLHUWKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O4/c1-4-14-5-7-15(8-6-14)13-25(2)19(26)12-24-20(27)16-9-10-17(29-21(22)23)18(11-16)28-3/h5-11,21H,4,12-13H2,1-3H3,(H,24,27).
What are the key properties of 4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 406.43 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 31235284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).