2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide

C19H20F2N2O5 — CID 9240904

IUPAC2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccccc2OC(F)F)cc1OC
InChIInChI=1S/C19H20F2N2O5/c1-26-15-8-7-12(9-16(15)27-2)10-22-17(24)11-23-18(25)13-5-3-4-6-14(13)28-19(20)21/h3-9,19H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLORMEPCHCAXAGM-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.35
Rot. Bonds9

About 2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide

2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 9240904) has the molecular formula C19H20F2N2O5 and a molecular weight of 394.37 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID9240904
Molecular FormulaC19H20F2N2O5
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC Name2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccccc2OC(F)F)cc1OC
InChIInChI=1S/C19H20F2N2O5/c1-26-15-8-7-12(9-16(15)27-2)10-22-17(24)11-23-18(25)13-5-3-4-6-14(13)28-19(20)21/h3-9,19H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLORMEPCHCAXAGM-UHFFFAOYSA-N
XLogP2.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 55656432
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46434205
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide (CID 9240904) is 2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide is COc1ccc(CNC(=O)CNC(=O)c2ccccc2OC(F)F)cc1OC.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is LORMEPCHCAXAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O5/c1-26-15-8-7-12(9-16(15)27-2)10-22-17(24)11-23-18(25)13-5-3-4-6-14(13)28-19(20)21/h3-9,19H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide?
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 394.37 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9240904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).