4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide

C21H22F4N2O5 — CID 55656144

IUPAC4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCCC(NC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccccc1OC(F)F
InChIInChI=1S/C21H22F4N2O5/c1-3-14(13-6-4-5-7-15(13)31-20(22)23)27-18(28)11-26-19(29)12-8-9-16(32-21(24)25)17(10-12)30-2/h4-10,14,20-21H,3,11H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyRWUHAPRPVNYNDH-UHFFFAOYSA-N
MW458.41 g/mol
LogP3.90
Rot. Bonds11

About 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 55656144) has the molecular formula C21H22F4N2O5 and a molecular weight of 458.41 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID55656144
Molecular FormulaC21H22F4N2O5
Molecular Weight458.41 g/mol
Exact Mass458.15
IUPAC Name4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCCC(NC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccccc1OC(F)F
InChIInChI=1S/C21H22F4N2O5/c1-3-14(13-6-4-5-7-15(13)31-20(22)23)27-18(28)11-26-19(29)12-8-9-16(32-21(24)25)17(10-12)30-2/h4-10,14,20-21H,3,11H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyRWUHAPRPVNYNDH-UHFFFAOYSA-N
XLogP3.90
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide with MolForge

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580651
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide
CID 46485327
4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55923560
4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide
CID 55952260
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide (CID 55656144) is 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide is CCC(NC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is RWUHAPRPVNYNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N2O5/c1-3-14(13-6-4-5-7-15(13)31-20(22)23)27-18(28)11-26-19(29)12-8-9-16(32-21(24)25)17(10-12)30-2/h4-10,14,20-21H,3,11H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 458.41 g/mol, XLogP of 3.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 55656144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).