N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide

C18H21ClN2O2 — CID 51421239

IUPACN-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)N/N=C1\C[C@@H]2C=CC[C@@H]12
InChIInChI=1S/C18H21ClN2O2/c1-12-10-14(19)7-8-17(12)23-9-3-6-18(22)21-20-16-11-13-4-2-5-15(13)16/h2,4,7-8,10,13,15H,3,5-6,9,11H2,1H3,(H,21,22)/b20-16+/t13-,15+/m0/s1
InChIKeyMBBDAZBEWAXJNN-UPQQWNPYSA-N
MW332.83 g/mol
LogP3.88
Rot. Bonds6

About N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide

N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide (PubChem CID 51421239) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
PubChem CID51421239
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)N/N=C1\C[C@@H]2C=CC[C@@H]12
InChIInChI=1S/C18H21ClN2O2/c1-12-10-14(19)7-8-17(12)23-9-3-6-18(22)21-20-16-11-13-4-2-5-15(13)16/h2,4,7-8,10,13,15H,3,5-6,9,11H2,1H3,(H,21,22)/b20-16+/t13-,15+/m0/s1
InChIKeyMBBDAZBEWAXJNN-UPQQWNPYSA-N
XLogP3.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide 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-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 40642671
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 27516899
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 5070678
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
CID 3397487
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide
CID 5161966
4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide
CID 4658763
N-[1-(4-aminophenyl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 5076363
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide
CID 4135723

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide?
The IUPAC name of N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide (CID 51421239) is N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide.
What is the SMILES notation for N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide?
The canonical SMILES for N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide is Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1\C[C@@H]2C=CC[C@@H]12.
What is the InChIKey of N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide?
The InChIKey is MBBDAZBEWAXJNN-UPQQWNPYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12-10-14(19)7-8-17(12)23-9-3-6-18(22)21-20-16-11-13-4-2-5-15(13)16/h2,4,7-8,10,13,15H,3,5-6,9,11H2,1H3,(H,21,22)/b20-16+/t13-,15+/m0/s1.
What are the key properties of N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide?
N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide has a molecular weight of 332.83 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide is sourced from PubChem (CID 51421239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).