N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide

C22H24FN3O3 — CID 113202834

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN2C(=O)c3cccc(F)c3C2=O)c(C)c1
InChIInChI=1S/C22H24FN3O3/c1-4-25(5-2)15-9-10-18(14(3)13-15)24-19(27)11-12-26-21(28)16-7-6-8-17(23)20(16)22(26)29/h6-10,13H,4-5,11-12H2,1-3H3,(H,24,27)
InChIKeyNRKVMWMCDSEGSO-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.61
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide

N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 113202834) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID113202834
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN2C(=O)c3cccc(F)c3C2=O)c(C)c1
InChIInChI=1S/C22H24FN3O3/c1-4-25(5-2)15-9-10-18(14(3)13-15)24-19(27)11-12-26-21(28)16-7-6-8-17(23)20(16)22(26)29/h6-10,13H,4-5,11-12H2,1-3H3,(H,24,27)
InChIKeyNRKVMWMCDSEGSO-UHFFFAOYSA-N
XLogP3.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202807
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 113202778
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
CID 108997613
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993
N-(5-fluoro-2-methylphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 7777742
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide
CID 56603891
N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034896

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide (CID 113202834) is N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide is CCN(CC)c1ccc(NC(=O)CCN2C(=O)c3cccc(F)c3C2=O)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is NRKVMWMCDSEGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-4-25(5-2)15-9-10-18(14(3)13-15)24-19(27)11-12-26-21(28)16-7-6-8-17(23)20(16)22(26)29/h6-10,13H,4-5,11-12H2,1-3H3,(H,24,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 397.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 113202834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).