2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide

C15H10Cl2N2O — CID 70516216

IUPAC2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2cc(Cl)ccc2C=Cc2ccc(Cl)cc21
InChIInChI=1S/C15H10Cl2N2O/c16-11-5-3-9-1-2-10-4-6-12(17)8-14(10)19(15(18)20)13(9)7-11/h1-8H,(H2,18,20)
InChIKeyRMLKHGMEPVRNDN-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.69
Rot. Bonds

About 2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide

2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide (PubChem CID 70516216) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide
PubChem CID70516216
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2cc(Cl)ccc2C=Cc2ccc(Cl)cc21
InChIInChI=1S/C15H10Cl2N2O/c16-11-5-3-9-1-2-10-4-6-12(17)8-14(10)19(15(18)20)13(9)7-11/h1-8H,(H2,18,20)
InChIKeyRMLKHGMEPVRNDN-UHFFFAOYSA-N
XLogP4.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide (CID 70516216) is 2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide is NC(=O)N1c2cc(Cl)ccc2C=Cc2ccc(Cl)cc21.
What is the InChIKey of 2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide?
The InChIKey is RMLKHGMEPVRNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-11-5-3-9-1-2-10-4-6-12(17)8-14(10)19(15(18)20)13(9)7-11/h1-8H,(H2,18,20).
What are the key properties of 2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide?
2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide has a molecular weight of 305.16 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dichlorobenzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 70516216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).