N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide

C21H22ClNO — CID 98513159

IUPACN-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide
SMILESO=C(N[C@@H]1CC/C=C(/c2ccccc2)C[C@@H](Cl)C1)c1ccccc1
InChIInChI=1S/C21H22ClNO/c22-19-14-18(16-8-3-1-4-9-16)12-7-13-20(15-19)23-21(24)17-10-5-2-6-11-17/h1-6,8-12,19-20H,7,13-15H2,(H,23,24)/b18-12+/t19-,20-/m1/s1
InChIKeyOLZQLUTXISDFGC-WJZSJHQNSA-N
MW339.87 g/mol
LogP5.05
Rot. Bonds3

About N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide

N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide (PubChem CID 98513159) has the molecular formula C21H22ClNO and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide
PubChem CID98513159
Molecular FormulaC21H22ClNO
Molecular Weight339.87 g/mol
Exact Mass339.14
IUPAC NameN-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide
SMILESO=C(N[C@@H]1CC/C=C(/c2ccccc2)C[C@@H](Cl)C1)c1ccccc1
InChIInChI=1S/C21H22ClNO/c22-19-14-18(16-8-3-1-4-9-16)12-7-13-20(15-19)23-21(24)17-10-5-2-6-11-17/h1-6,8-12,19-20H,7,13-15H2,(H,23,24)/b18-12+/t19-,20-/m1/s1
InChIKeyOLZQLUTXISDFGC-WJZSJHQNSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.87
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide 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-[(1R,3R)-3-fluorocyclopentyl]benzamide
CID 129348896
N-[(1S,3S)-3-fluorocyclopentyl]benzamide
CID 129348898
N-[(1R,3S)-3-fluorocyclohexyl]benzamide
CID 162413699
N-[(1S,3R)-3-aminocyclohexyl]benzamide
CID 70821895
N-(3-aminocyclobutyl)benzamide
CID 43594893
N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide
CID 175179674
N-(3-bromocyclopentyl)benzamide
CID 175209749
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[3-(2-aminopropan-2-yl)cyclopentyl]benzamide
CID 175565792

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide?
The IUPAC name of N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide (CID 98513159) is N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide.
What is the SMILES notation for N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide?
The canonical SMILES for N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide is O=C(N[C@@H]1CC/C=C(/c2ccccc2)C[C@@H](Cl)C1)c1ccccc1.
What is the InChIKey of N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide?
The InChIKey is OLZQLUTXISDFGC-WJZSJHQNSA-N. The full InChI is InChI=1S/C21H22ClNO/c22-19-14-18(16-8-3-1-4-9-16)12-7-13-20(15-19)23-21(24)17-10-5-2-6-11-17/h1-6,8-12,19-20H,7,13-15H2,(H,23,24)/b18-12+/t19-,20-/m1/s1.
What are the key properties of N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide?
N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide has a molecular weight of 339.87 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide is sourced from PubChem (CID 98513159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).