N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide

C18H16Cl2N2O2 — CID 25029940

IUPACN-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide
SMILESCCN1C(=O)c2ccccc2C1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O2/c1-2-22-16(13-5-3-4-6-14(13)18(22)24)17(23)21-10-11-7-8-12(19)9-15(11)20/h3-9,16H,2,10H2,1H3,(H,21,23)
InChIKeyQXKBILNFBVGWTN-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.83
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 25029940) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide
PubChem CID25029940
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide
SMILESCCN1C(=O)c2ccccc2C1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O2/c1-2-22-16(13-5-3-4-6-14(13)18(22)24)17(23)21-10-11-7-8-12(19)9-15(11)20/h3-9,16H,2,10H2,1H3,(H,21,23)
InChIKeyQXKBILNFBVGWTN-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide (CID 25029940) is N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide is CCN1C(=O)c2ccccc2C1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is QXKBILNFBVGWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-2-22-16(13-5-3-4-6-14(13)18(22)24)17(23)21-10-11-7-8-12(19)9-15(11)20/h3-9,16H,2,10H2,1H3,(H,21,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 25029940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).