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

C20H20F4N2O6 — CID 31553535

IUPAC4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC(F)F
InChIInChI=1S/C20H20F4N2O6/c1-29-15-7-11(3-5-13(15)31-19(21)22)9-25-17(27)10-26-18(28)12-4-6-14(32-20(23)24)16(8-12)30-2/h3-8,19-20H,9-10H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHYWQSVMTGWGRAN-UHFFFAOYSA-N
MW460.38 g/mol
LogP2.95
Rot. Bonds11

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

4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 31553535) has the molecular formula C20H20F4N2O6 and a molecular weight of 460.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID31553535
Molecular FormulaC20H20F4N2O6
Molecular Weight460.38 g/mol
Exact Mass460.13
IUPAC Name4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC(F)F
InChIInChI=1S/C20H20F4N2O6/c1-29-15-7-11(3-5-13(15)31-19(21)22)9-25-17(27)10-26-18(28)12-4-6-14(32-20(23)24)16(8-12)30-2/h3-8,19-20H,9-10H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHYWQSVMTGWGRAN-UHFFFAOYSA-N
XLogP2.95
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-(difluoromethoxy)-N-[2-[[2-(dimethylamino)-4-pyridinyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55637064
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide (CID 31553535) is 4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide is COc1cc(CNC(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is HYWQSVMTGWGRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O6/c1-29-15-7-11(3-5-13(15)31-19(21)22)9-25-17(27)10-26-18(28)12-4-6-14(32-20(23)24)16(8-12)30-2/h3-8,19-20H,9-10H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 460.38 g/mol, XLogP of 2.95, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 31553535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).