4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide

C18H16F4N2O4 — CID 55483410

IUPAC4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCNC(=O)C(NC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H16F4N2O4/c1-23-17(26)15(9-3-5-11(19)12(20)7-9)24-16(25)10-4-6-13(28-18(21)22)14(8-10)27-2/h3-8,15,18H,1-2H3,(H,23,26)(H,24,25)
InChIKeyUZAIMJIBHXCGJI-UHFFFAOYSA-N
MW400.33 g/mol
LogP2.79
Rot. Bonds7

About 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 55483410) has the molecular formula C18H16F4N2O4 and a molecular weight of 400.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide
PubChem CID55483410
Molecular FormulaC18H16F4N2O4
Molecular Weight400.33 g/mol
Exact Mass400.10
IUPAC Name4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCNC(=O)C(NC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H16F4N2O4/c1-23-17(26)15(9-3-5-11(19)12(20)7-9)24-16(25)10-4-6-13(28-18(21)22)14(8-10)27-2/h3-8,15,18H,1-2H3,(H,23,26)(H,24,25)
InChIKeyUZAIMJIBHXCGJI-UHFFFAOYSA-N
XLogP2.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide with MolForge

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Related Compounds

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 78841479
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
4-(4-acetyl-2-methoxyphenoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55790441
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55629313
4-(difluoromethoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methoxybenzamide
CID 46828402
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 134051659
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 55502073
tert-butyl N-[4-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 55501862
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134051712
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51159004
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide
CID 55501489
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55502416

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide (CID 55483410) is 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide is CNC(=O)C(NC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is UZAIMJIBHXCGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O4/c1-23-17(26)15(9-3-5-11(19)12(20)7-9)24-16(25)10-4-6-13(28-18(21)22)14(8-10)27-2/h3-8,15,18H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 400.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 55483410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).