(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

C20H24ClNO — CID 7720013

IUPAC(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12
InChIInChI=1S/C20H24ClNO/c21-15-11-13-16(14-12-15)22-20(23)19-17-9-7-5-3-1-2-4-6-8-10-18(17)19/h3-6,11-14,17-19H,1-2,7-10H2,(H,22,23)/b5-3-,6-4+/t17-,18+,19?/m1/s1
InChIKeyXYFUVLIWAXYEIS-AEJYPDECSA-N
MW329.87 g/mol
LogP5.61
Rot. Bonds2

About (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (PubChem CID 7720013) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.

Molecular Properties

Compound Name(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
PubChem CID7720013
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12
InChIInChI=1S/C20H24ClNO/c21-15-11-13-16(14-12-15)22-20(23)19-17-9-7-5-3-1-2-4-6-8-10-18(17)19/h3-6,11-14,17-19H,1-2,7-10H2,(H,22,23)/b5-3-,6-4+/t17-,18+,19?/m1/s1
InChIKeyXYFUVLIWAXYEIS-AEJYPDECSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide with MolForge

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Related Compounds

(1S,4Z,8E,12S)-N-(4-methylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7500029
(1R,4Z,8E,12R)-N-(4-iodophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 11891872
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
(1S,4Z,8S)-N-(4-fluorophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5415413
(1S,8S)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 950516
N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 556295
(1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5392550
(1R,4Z,8R)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5392551
N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 2832429
(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5412789
(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305

Frequently Asked Questions

What is the IUPAC name of (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The IUPAC name of (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (CID 7720013) is (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.
What is the SMILES notation for (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The canonical SMILES for (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is O=C(Nc1ccc(Cl)cc1)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12.
What is the InChIKey of (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The InChIKey is XYFUVLIWAXYEIS-AEJYPDECSA-N. The full InChI is InChI=1S/C20H24ClNO/c21-15-11-13-16(14-12-15)22-20(23)19-17-9-7-5-3-1-2-4-6-8-10-18(17)19/h3-6,11-14,17-19H,1-2,7-10H2,(H,22,23)/b5-3-,6-4+/t17-,18+,19?/m1/s1.
What are the key properties of (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide has a molecular weight of 329.87 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is sourced from PubChem (CID 7720013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).