4H-benzo[c][1]benzazepine-3-carboxamide

C15H12N2O — CID 153324479

IUPAC4H-benzo[c][1]benzazepine-3-carboxamide
SMILESNC(=O)C1=CC=C2C=c3ccccc3=CN=C2C1
InChIInChI=1S/C15H12N2O/c16-15(18)12-6-5-11-7-10-3-1-2-4-13(10)9-17-14(11)8-12/h1-7,9H,8H2,(H2,16,18)
InChIKeyBEOMLEJQQYFHLL-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.40
Rot. Bonds1

About 4H-benzo[c][1]benzazepine-3-carboxamide

4H-benzo[c][1]benzazepine-3-carboxamide (PubChem CID 153324479) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4H-benzo[c][1]benzazepine-3-carboxamide.

Molecular Properties

Compound Name4H-benzo[c][1]benzazepine-3-carboxamide
PubChem CID153324479
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4H-benzo[c][1]benzazepine-3-carboxamide
SMILESNC(=O)C1=CC=C2C=c3ccccc3=CN=C2C1
InChIInChI=1S/C15H12N2O/c16-15(18)12-6-5-11-7-10-3-1-2-4-13(10)9-17-14(11)8-12/h1-7,9H,8H2,(H2,16,18)
InChIKeyBEOMLEJQQYFHLL-UHFFFAOYSA-N
XLogP0.40
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-benzo[c][1]benzazepine-3-carboxamide?
The IUPAC name of 4H-benzo[c][1]benzazepine-3-carboxamide (CID 153324479) is 4H-benzo[c][1]benzazepine-3-carboxamide.
What is the SMILES notation for 4H-benzo[c][1]benzazepine-3-carboxamide?
The canonical SMILES for 4H-benzo[c][1]benzazepine-3-carboxamide is NC(=O)C1=CC=C2C=c3ccccc3=CN=C2C1.
What is the InChIKey of 4H-benzo[c][1]benzazepine-3-carboxamide?
The InChIKey is BEOMLEJQQYFHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-15(18)12-6-5-11-7-10-3-1-2-4-13(10)9-17-14(11)8-12/h1-7,9H,8H2,(H2,16,18).
What are the key properties of 4H-benzo[c][1]benzazepine-3-carboxamide?
4H-benzo[c][1]benzazepine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-benzo[c][1]benzazepine-3-carboxamide is sourced from PubChem (CID 153324479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).