(10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide

C15H12ClNO — CID 23256674

IUPAC(10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide
SMILESNC(=O)[C@]1(Cl)C[C@H]2c3cccc4cccc(c34)[C@H]21
InChIInChI=1S/C15H12ClNO/c16-15(14(17)18)7-11-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15/h1-6,11,13H,7H2,(H2,17,18)/t11-,13+,15-/m0/s1
InChIKeyQQULXHPDINNYEV-LNSITVRQSA-N
MW257.72 g/mol
LogP2.89
Rot. Bonds1

About (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide

(10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide (PubChem CID 23256674) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide.

Molecular Properties

Compound Name(10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide
PubChem CID23256674
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide
SMILESNC(=O)[C@]1(Cl)C[C@H]2c3cccc4cccc(c34)[C@H]21
InChIInChI=1S/C15H12ClNO/c16-15(14(17)18)7-11-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15/h1-6,11,13H,7H2,(H2,17,18)/t11-,13+,15-/m0/s1
InChIKeyQQULXHPDINNYEV-LNSITVRQSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-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 (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide?
The IUPAC name of (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide (CID 23256674) is (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide.
What is the SMILES notation for (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide?
The canonical SMILES for (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide is NC(=O)[C@]1(Cl)C[C@H]2c3cccc4cccc(c34)[C@H]21.
What is the InChIKey of (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide?
The InChIKey is QQULXHPDINNYEV-LNSITVRQSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-15(14(17)18)7-11-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15/h1-6,11,13H,7H2,(H2,17,18)/t11-,13+,15-/m0/s1.
What are the key properties of (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide?
(10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide is sourced from PubChem (CID 23256674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).