N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C20H17Cl2N3O — CID 110510740

About N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 110510740) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• PubChem CID: 110510740
• Molecular Formula: C20H17Cl2N3O
• Molecular Weight: 386.28 g/mol
• Exact Mass: 385.07
• IUPAC Name: N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• SMILES: O=C(N/N=C\c1cccc(Cl)c1Cl)c1ccc2[nH]c3c(c2c1)CCCC3
• InChI: InChI=1S/C20H17Cl2N3O/c21-16-6-3-4-13(19(16)22)11-23-25-20(26)12-8-9-18-15(10-12)14-5-1-2-7-17(14)24-18/h3-4,6,8-11,24H,1-2,5,7H2,(H,25,26)/b23-11-
• InChIKey: FJRNIBULYLBONF-KSEXSDGBSA-N
• XLogP: 5.12
• TPSA: 57.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.28
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The IUPAC name of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 110510740) is N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

What is the SMILES notation for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The canonical SMILES for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(N/N=C\c1cccc(Cl)c1Cl)c1ccc2[nH]c3c(c2c1)CCCC3.

What is the InChIKey of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The InChIKey is FJRNIBULYLBONF-KSEXSDGBSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-16-6-3-4-13(19(16)22)11-23-25-20(26)12-8-9-18-15(10-12)14-5-1-2-7-17(14)24-18/h3-4,6,8-11,24H,1-2,5,7H2,(H,25,26)/b23-11-.

What are the key properties of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 110510740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).