N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C18H14F2N2O3 — CID 16592169

IUPACN-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N2O3/c1-11-14-4-2-3-5-15(14)17(24)22(11)10-16(23)21-12-6-8-13(9-7-12)25-18(19)20/h2-9,18H,1,10H2,(H,21,23)
InChIKeyOOIOWBFLOROATB-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.35
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 16592169) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID16592169
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N2O3/c1-11-14-4-2-3-5-15(14)17(24)22(11)10-16(23)21-12-6-8-13(9-7-12)25-18(19)20/h2-9,18H,1,10H2,(H,21,23)
InChIKeyOOIOWBFLOROATB-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 17492143
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 49336908
N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55960851
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7819637
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55854248
N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide
CID 55802247
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2677187
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2498787
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 51317122
N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18154251

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 16592169) is N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is OOIOWBFLOROATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c1-11-14-4-2-3-5-15(14)17(24)22(11)10-16(23)21-12-6-8-13(9-7-12)25-18(19)20/h2-9,18H,1,10H2,(H,21,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 344.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 16592169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).