N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H16F2N2O5 — CID 9017557

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCOc1cc(CNC(=O)CN2C(=O)c3ccccc3C2=O)ccc1OC(F)F
InChIInChI=1S/C19H16F2N2O5/c1-27-15-8-11(6-7-14(15)28-19(20)21)9-22-16(24)10-23-17(25)12-4-2-3-5-13(12)18(23)26/h2-8,19H,9-10H2,1H3,(H,22,24)
InChIKeyFBVQZCPUFMVNFX-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.21
Rot. Bonds7

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 9017557) has the molecular formula C19H16F2N2O5 and a molecular weight of 390.34 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID9017557
Molecular FormulaC19H16F2N2O5
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCOc1cc(CNC(=O)CN2C(=O)c3ccccc3C2=O)ccc1OC(F)F
InChIInChI=1S/C19H16F2N2O5/c1-27-15-8-11(6-7-14(15)28-19(20)21)9-22-16(24)10-23-17(25)12-4-2-3-5-13(12)18(23)26/h2-8,19H,9-10H2,1H3,(H,22,24)
InChIKeyFBVQZCPUFMVNFX-UHFFFAOYSA-N
XLogP2.21
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 41497799
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 34624107
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220952
2-(benzotriazol-1-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 46421001
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969520
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 49336908
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 34623549
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]propanamide
CID 46643233

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 9017557) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is COc1cc(CNC(=O)CN2C(=O)c3ccccc3C2=O)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is FBVQZCPUFMVNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O5/c1-27-15-8-11(6-7-14(15)28-19(20)21)9-22-16(24)10-23-17(25)12-4-2-3-5-13(12)18(23)26/h2-8,19H,9-10H2,1H3,(H,22,24).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 390.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 9017557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).