N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

C23H22Cl2N2O4 — CID 60538124

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C23H22Cl2N2O4/c1-2-26(12-14-5-8-19(24)20(25)10-14)21(28)15-6-7-17-18(11-15)23(30)27(22(17)29)13-16-4-3-9-31-16/h5-8,10-11,16H,2-4,9,12-13H2,1H3
InChIKeyPDCNXZSVPRLTOR-UHFFFAOYSA-N
MW461.35 g/mol
LogP4.43
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide (PubChem CID 60538124) has the molecular formula C23H22Cl2N2O4 and a molecular weight of 461.35 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
PubChem CID60538124
Molecular FormulaC23H22Cl2N2O4
Molecular Weight461.35 g/mol
Exact Mass460.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C23H22Cl2N2O4/c1-2-26(12-14-5-8-19(24)20(25)10-14)21(28)15-6-7-17-18(11-15)23(30)27(22(17)29)13-16-4-3-9-31-16/h5-8,10-11,16H,2-4,9,12-13H2,1H3
InChIKeyPDCNXZSVPRLTOR-UHFFFAOYSA-N
XLogP4.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 38046584
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide
CID 55762387
N-ethyl-N-(4-fluorophenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 51198650
1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
N-[(2-methoxyphenyl)methyl]-1,3-dioxo-N,2-bis(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55968894
N-[2-(methylamino)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119501013
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55723831
N-[2-(methylamino)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide;hydrochloride
CID 119501012
N-(2-amino-2-methylpropyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119626953
N-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 1262389
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55461242
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 31443327

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide (CID 60538124) is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The InChIKey is PDCNXZSVPRLTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4/c1-2-26(12-14-5-8-19(24)20(25)10-14)21(28)15-6-7-17-18(11-15)23(30)27(22(17)29)13-16-4-3-9-31-16/h5-8,10-11,16H,2-4,9,12-13H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide has a molecular weight of 461.35 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 60538124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).