N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide

C24H18F2N2O3 — CID 24624798

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C24H18F2N2O3/c25-24(26)31-21-11-10-18(13-17(21)12-15-6-2-1-3-7-15)27-22(29)19-14-16-8-4-5-9-20(16)28-23(19)30/h1-11,13-14,24H,12H2,(H,27,29)(H,28,30)
InChIKeyAMTLDBFZBAOCSI-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.97
Rot. Bonds6

About N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 24624798) has the molecular formula C24H18F2N2O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID24624798
Molecular FormulaC24H18F2N2O3
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C24H18F2N2O3/c25-24(26)31-21-11-10-18(13-17(21)12-15-6-2-1-3-7-15)27-22(29)19-14-16-8-4-5-9-20(16)28-23(19)30/h1-11,13-14,24H,12H2,(H,27,29)(H,28,30)
InChIKeyAMTLDBFZBAOCSI-UHFFFAOYSA-N
XLogP4.97
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide
CID 24624799
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18228128
N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 55447606
2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 55539818
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)acetamide
CID 18288051
N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
CID 24533543
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide
CID 134032534
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 24525173
N-[3-benzyl-4-(difluoromethoxy)phenyl]-3-methylsulfonylbenzamide
CID 24525215
N-[3-benzyl-4-(difluoromethoxy)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24668099
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55607654
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18274238

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide (CID 24624798) is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is AMTLDBFZBAOCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3/c25-24(26)31-21-11-10-18(13-17(21)12-15-6-2-1-3-7-15)27-22(29)19-14-16-8-4-5-9-20(16)28-23(19)30/h1-11,13-14,24H,12H2,(H,27,29)(H,28,30).
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 24624798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).