N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

C24H18F2N2O3 — CID 112763749

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESCC(NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc(F)cc1F
InChIInChI=1S/C24H18F2N2O3/c1-14(18-10-9-17(25)12-21(18)26)27-22(29)16-6-4-5-15(11-16)13-28-23(30)19-7-2-3-8-20(19)24(28)31/h2-12,14H,13H2,1H3,(H,27,29)
InChIKeyOTPASBGMFQDVTK-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.25
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (PubChem CID 112763749) has the molecular formula C24H18F2N2O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
PubChem CID112763749
Molecular FormulaC24H18F2N2O3
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESCC(NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc(F)cc1F
InChIInChI=1S/C24H18F2N2O3/c1-14(18-10-9-17(25)12-21(18)26)27-22(29)16-6-4-5-15(11-16)13-28-23(30)19-7-2-3-8-20(19)24(28)31/h2-12,14H,13H2,1H3,(H,27,29)
InChIKeyOTPASBGMFQDVTK-UHFFFAOYSA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9218396
N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9164957
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9482018
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7774642
methyl 3-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 55994649
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 60592964
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829754
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 55364200
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 46650963
N-[3-[1-(2,4-difluorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55821382
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9429422

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (CID 112763749) is N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is CC(NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The InChIKey is OTPASBGMFQDVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3/c1-14(18-10-9-17(25)12-21(18)26)27-22(29)16-6-4-5-15(11-16)13-28-23(30)19-7-2-3-8-20(19)24(28)31/h2-12,14H,13H2,1H3,(H,27,29).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide has a molecular weight of 420.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 112763749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).