N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide

C23H20F2N2O4 — CID 34092044

IUPACN-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C23H20F2N2O4/c24-23(25)31-18-12-10-17(11-13-18)27-21(28)15-30-20-9-5-4-8-19(20)22(29)26-14-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,26,29)(H,27,28)
InChIKeyOWHJBNYQLDUATA-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.24
Rot. Bonds9

About N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide

N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide (PubChem CID 34092044) has the molecular formula C23H20F2N2O4 and a molecular weight of 426.42 g/mol. Its IUPAC name is N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide
PubChem CID34092044
Molecular FormulaC23H20F2N2O4
Molecular Weight426.42 g/mol
Exact Mass426.14
IUPAC NameN-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C23H20F2N2O4/c24-23(25)31-18-12-10-17(11-13-18)27-21(28)15-30-20-9-5-4-8-19(20)22(29)26-14-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,26,29)(H,27,28)
InChIKeyOWHJBNYQLDUATA-UHFFFAOYSA-N
XLogP4.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 4243921
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide
CID 60558943
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7685249
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
N-benzyl-2-[2-(3-nitroanilino)-2-oxoethoxy]benzamide
CID 7981684
N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707159
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide (CID 34092044) is N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide is O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide?
The InChIKey is OWHJBNYQLDUATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O4/c24-23(25)31-18-12-10-17(11-13-18)27-21(28)15-30-20-9-5-4-8-19(20)22(29)26-14-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide?
N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide has a molecular weight of 426.42 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 34092044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).