N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C26H23Cl2NO — CID 4197716

IUPACN-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC(C)C1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H23Cl2NO/c1-14(2)22-23-18-7-3-5-9-20(18)24(21-10-6-4-8-19(21)23)25(22)26(30)29-17-12-15(27)11-16(28)13-17/h3-14,22-25H,1-2H3,(H,29,30)
InChIKeyPFRCVDFDQAASQQ-UHFFFAOYSA-N
MW436.38 g/mol
LogP7.11
Rot. Bonds3

About N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 4197716) has the molecular formula C26H23Cl2NO and a molecular weight of 436.38 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID4197716
Molecular FormulaC26H23Cl2NO
Molecular Weight436.38 g/mol
Exact Mass435.12
IUPAC NameN-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC(C)C1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H23Cl2NO/c1-14(2)22-23-18-7-3-5-9-20(18)24(21-10-6-4-8-19(21)23)25(22)26(30)29-17-12-15(27)11-16(28)13-17/h3-14,22-25H,1-2H3,(H,29,30)
InChIKeyPFRCVDFDQAASQQ-UHFFFAOYSA-N
XLogP7.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.38
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 4197716) is N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CC(C)C1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is PFRCVDFDQAASQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2NO/c1-14(2)22-23-18-7-3-5-9-20(18)24(21-10-6-4-8-19(21)23)25(22)26(30)29-17-12-15(27)11-16(28)13-17/h3-14,22-25H,1-2H3,(H,29,30).
What are the key properties of N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 436.38 g/mol, XLogP of 7.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 4197716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).