3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide

C18H16ClN3O2 — CID 57318936

IUPAC3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C(/C(C)=N/c1ccc(Cl)cc1)C(=O)N2
InChIInChI=1S/C18H16ClN3O2/c1-10(21-13-6-4-12(19)5-7-13)16-14-9-11(17(23)20-2)3-8-15(14)22-18(16)24/h3-9,16H,1-2H3,(H,20,23)(H,22,24)/b21-10+
InChIKeyZZSFOJXJHRMCHD-UFFVCSGVSA-N
MW341.80 g/mol
LogP3.53
Rot. Bonds3

About 3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide

3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 57318936) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID57318936
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C(/C(C)=N/c1ccc(Cl)cc1)C(=O)N2
InChIInChI=1S/C18H16ClN3O2/c1-10(21-13-6-4-12(19)5-7-13)16-14-9-11(17(23)20-2)3-8-15(14)22-18(16)24/h3-9,16H,1-2H3,(H,20,23)(H,22,24)/b21-10+
InChIKeyZZSFOJXJHRMCHD-UFFVCSGVSA-N
XLogP3.53
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide (CID 57318936) is 3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide is CNC(=O)c1ccc2c(c1)C(/C(C)=N/c1ccc(Cl)cc1)C(=O)N2.
What is the InChIKey of 3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is ZZSFOJXJHRMCHD-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-10(21-13-6-4-12(19)5-7-13)16-14-9-11(17(23)20-2)3-8-15(14)22-18(16)24/h3-9,16H,1-2H3,(H,20,23)(H,22,24)/b21-10+.
What are the key properties of 3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide?
3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 57318936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).