N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide

C20H19ClN2O3 — CID 59778496

IUPACN-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(CN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O3/c1-20(2,19(26)22-11-13-7-3-6-10-16(13)21)12-23-17(24)14-8-4-5-9-15(14)18(23)25/h3-10H,11-12H2,1-2H3,(H,22,26)
InChIKeyAJWFLRRIRVMUJN-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.28
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide

N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide (PubChem CID 59778496) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide
PubChem CID59778496
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(CN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O3/c1-20(2,19(26)22-11-13-7-3-6-10-16(13)21)12-23-17(24)14-8-4-5-9-15(14)18(23)25/h3-10H,11-12H2,1-2H3,(H,22,26)
InChIKeyAJWFLRRIRVMUJN-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.28
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

(2R)-N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2495850
1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889363
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 59738283
N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide
CID 59738300
N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9321369
4-[(2-chlorophenyl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300170
N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959459
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
CID 108962686
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide
CID 17362843

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide (CID 59778496) is N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide is CC(C)(CN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is AJWFLRRIRVMUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-20(2,19(26)22-11-13-7-3-6-10-16(13)21)12-23-17(24)14-8-4-5-9-15(14)18(23)25/h3-10H,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide?
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 370.84 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 59778496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).