4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide

C20H20F4N2O4 — CID 55923560

IUPAC4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NC(C)Cc2c(F)cccc2F)ccc1OC(F)F
InChIInChI=1S/C20H20F4N2O4/c1-11(8-13-14(21)4-3-5-15(13)22)26-18(27)10-25-19(28)12-6-7-16(30-20(23)24)17(9-12)29-2/h3-7,9,11,20H,8,10H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyQSGOGOKROALTDC-UHFFFAOYSA-N
MW428.38 g/mol
LogP3.05
Rot. Bonds9

About 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 55923560) has the molecular formula C20H20F4N2O4 and a molecular weight of 428.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID55923560
Molecular FormulaC20H20F4N2O4
Molecular Weight428.38 g/mol
Exact Mass428.14
IUPAC Name4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NC(C)Cc2c(F)cccc2F)ccc1OC(F)F
InChIInChI=1S/C20H20F4N2O4/c1-11(8-13-14(21)4-3-5-15(13)22)26-18(27)10-25-19(28)12-6-7-16(30-20(23)24)17(9-12)29-2/h3-7,9,11,20H,8,10H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyQSGOGOKROALTDC-UHFFFAOYSA-N
XLogP3.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide (CID 55923560) is 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)NC(C)Cc2c(F)cccc2F)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is QSGOGOKROALTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O4/c1-11(8-13-14(21)4-3-5-15(13)22)26-18(27)10-25-19(28)12-6-7-16(30-20(23)24)17(9-12)29-2/h3-7,9,11,20H,8,10H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 428.38 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 55923560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).