N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide

C15H15ClN2O2 — CID 40571457

IUPACN-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C1\C[C@H]2C=CC[C@H]12
InChIInChI=1S/C15H15ClN2O2/c1-20-14-6-5-10(16)8-12(14)15(19)18-17-13-7-9-3-2-4-11(9)13/h2-3,5-6,8-9,11H,4,7H2,1H3,(H,18,19)/b17-13+/t9-,11+/m1/s1
InChIKeyAJTLTNMJTDGQJG-ACLVLZLKSA-N
MW290.75 g/mol
LogP3.03
Rot. Bonds3

About N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide

N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide (PubChem CID 40571457) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide
PubChem CID40571457
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C1\C[C@H]2C=CC[C@H]12
InChIInChI=1S/C15H15ClN2O2/c1-20-14-6-5-10(16)8-12(14)15(19)18-17-13-7-9-3-2-4-11(9)13/h2-3,5-6,8-9,11H,4,7H2,1H3,(H,18,19)/b17-13+/t9-,11+/m1/s1
InChIKeyAJTLTNMJTDGQJG-ACLVLZLKSA-N
XLogP3.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide 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

N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide
CID 7115296
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 40642671
5-chloro-2-methoxy-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27485277
5-chloro-2-methoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 6533231
5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 27485279
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 6148191
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide (CID 40571457) is N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)N/N=C1\C[C@H]2C=CC[C@H]12.
What is the InChIKey of N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide?
The InChIKey is AJTLTNMJTDGQJG-ACLVLZLKSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-14-6-5-10(16)8-12(14)15(19)18-17-13-7-9-3-2-4-11(9)13/h2-3,5-6,8-9,11H,4,7H2,1H3,(H,18,19)/b17-13+/t9-,11+/m1/s1.
What are the key properties of N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide?
N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide has a molecular weight of 290.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 40571457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).