(4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

C20H24BrNO — CID 11836641

IUPAC(4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1C2CC/C=C\CC/C=C/CCC21
InChIInChI=1S/C20H24BrNO/c21-15-10-9-11-16(14-15)22-20(23)19-17-12-7-5-3-1-2-4-6-8-13-18(17)19/h3-6,9-11,14,17-19H,1-2,7-8,12-13H2,(H,22,23)/b5-3-,6-4+
InChIKeyKVFSWFSBUJJKAD-CIIODKQPSA-N
MW374.32 g/mol
LogP5.72
Rot. Bonds2

About (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

(4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (PubChem CID 11836641) has the molecular formula C20H24BrNO and a molecular weight of 374.32 g/mol. Its IUPAC name is (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.

Molecular Properties

Compound Name(4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
PubChem CID11836641
Molecular FormulaC20H24BrNO
Molecular Weight374.32 g/mol
Exact Mass373.10
IUPAC Name(4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1C2CC/C=C\CC/C=C/CCC21
InChIInChI=1S/C20H24BrNO/c21-15-10-9-11-16(14-15)22-20(23)19-17-12-7-5-3-1-2-4-6-8-13-18(17)19/h3-6,9-11,14,17-19H,1-2,7-8,12-13H2,(H,22,23)/b5-3-,6-4+
InChIKeyKVFSWFSBUJJKAD-CIIODKQPSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278
N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 5061534
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5285511
(1S,8S)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 950516
(1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7719959
N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 2856990
(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5390129
(1S,2R,3R,4S)-3-[(3-bromophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98211961
(1R,2S,3S,4R)-3-[(3-bromophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124535972
(1R,2R,3R,4R)-3-[(3-bromophenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 124868393
(1S,2R,3R,4S)-3-[(3-bromophenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 100731419

Frequently Asked Questions

What is the IUPAC name of (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The IUPAC name of (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (CID 11836641) is (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.
What is the SMILES notation for (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The canonical SMILES for (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is O=C(Nc1cccc(Br)c1)C1C2CC/C=C\CC/C=C/CCC21.
What is the InChIKey of (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The InChIKey is KVFSWFSBUJJKAD-CIIODKQPSA-N. The full InChI is InChI=1S/C20H24BrNO/c21-15-10-9-11-16(14-15)22-20(23)19-17-12-7-5-3-1-2-4-6-8-13-18(17)19/h3-6,9-11,14,17-19H,1-2,7-8,12-13H2,(H,22,23)/b5-3-,6-4+.
What are the key properties of (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
(4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is sourced from PubChem (CID 11836641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).