5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide

C16H14ClNO — CID 3050932

IUPAC5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide
SMILESNC(=O)C1c2ccccc2CCc2ccc(Cl)cc21
InChIInChI=1S/C16H14ClNO/c17-12-8-7-11-6-5-10-3-1-2-4-13(10)15(16(18)19)14(11)9-12/h1-4,7-9,15H,5-6H2,(H2,18,19)
InChIKeyNGUFJGCGQJNRDT-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.06
Rot. Bonds1

About 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide

5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide (PubChem CID 3050932) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide.

Molecular Properties

Compound Name5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide
PubChem CID3050932
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide
SMILESNC(=O)C1c2ccccc2CCc2ccc(Cl)cc21
InChIInChI=1S/C16H14ClNO/c17-12-8-7-11-6-5-10-3-1-2-4-13(10)15(16(18)19)14(11)9-12/h1-4,7-9,15H,5-6H2,(H2,18,19)
InChIKeyNGUFJGCGQJNRDT-UHFFFAOYSA-N
XLogP3.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide?
The IUPAC name of 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide (CID 3050932) is 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide.
What is the SMILES notation for 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide?
The canonical SMILES for 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide is NC(=O)C1c2ccccc2CCc2ccc(Cl)cc21.
What is the InChIKey of 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide?
The InChIKey is NGUFJGCGQJNRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-12-8-7-11-6-5-10-3-1-2-4-13(10)15(16(18)19)14(11)9-12/h1-4,7-9,15H,5-6H2,(H2,18,19).
What are the key properties of 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide?
5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide is sourced from PubChem (CID 3050932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).