5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide

C14H15ClN2O — CID 43784525

IUPAC5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide
SMILESNC(=O)c1cc(NC2CC3CC=CC32)ccc1Cl
InChIInChI=1S/C14H15ClN2O/c15-12-5-4-9(7-11(12)14(16)18)17-13-6-8-2-1-3-10(8)13/h1,3-5,7-8,10,13,17H,2,6H2,(H2,16,18)
InChIKeyFYORLBKZGLXIIT-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.82
Rot. Bonds3

About 5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide

5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide (PubChem CID 43784525) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide.

Molecular Properties

Compound Name5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide
PubChem CID43784525
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide
SMILESNC(=O)c1cc(NC2CC3CC=CC32)ccc1Cl
InChIInChI=1S/C14H15ClN2O/c15-12-5-4-9(7-11(12)14(16)18)17-13-6-8-2-1-3-10(8)13/h1,3-5,7-8,10,13,17H,2,6H2,(H2,16,18)
InChIKeyFYORLBKZGLXIIT-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64751160
N-(3-chloro-4-propoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 60935728
N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 65437109
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43760539
N-(6-bicyclo[3.2.0]hept-3-enyl)-1H-indazol-6-amine
CID 43790623
N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43772895
2-chloro-5-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43713661
5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543
1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one
CID 43783655
2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide
CID 60936196

Frequently Asked Questions

What is the IUPAC name of 5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide?
The IUPAC name of 5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide (CID 43784525) is 5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide.
What is the SMILES notation for 5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide?
The canonical SMILES for 5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide is NC(=O)c1cc(NC2CC3CC=CC32)ccc1Cl.
What is the InChIKey of 5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide?
The InChIKey is FYORLBKZGLXIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-5-4-9(7-11(12)14(16)18)17-13-6-8-2-1-3-10(8)13/h1,3-5,7-8,10,13,17H,2,6H2,(H2,16,18).
What are the key properties of 5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide?
5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide has a molecular weight of 262.74 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide is sourced from PubChem (CID 43784525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).