(4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide

C21H25ClN2O2 — CID 145106793

IUPAC(4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide
SMILESC1=C[C@@H]2CCC1C2.CCNC(=O)c1cn(C2COC2)c2cccc(Cl)c12
InChIInChI=1S/C14H15ClN2O2.C7H10/c1-2-16-14(18)10-6-17(9-7-19-8-9)12-5-3-4-11(15)13(10)12;1-2-7-4-3-6(1)5-7/h3-6,9H,2,7-8H2,1H3,(H,16,18);1-2,6-7H,3-5H2/t;6-,7?/m.1/s1
InChIKeyOLVFWQYSDXJMIC-KXEXVYKCSA-N
MW372.90 g/mol
LogP4.59
Rot. Bonds3

About (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide

(4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide (PubChem CID 145106793) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name(4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide
PubChem CID145106793
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name(4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide
SMILESC1=C[C@@H]2CCC1C2.CCNC(=O)c1cn(C2COC2)c2cccc(Cl)c12
InChIInChI=1S/C14H15ClN2O2.C7H10/c1-2-16-14(18)10-6-17(9-7-19-8-9)12-5-3-4-11(15)13(10)12;1-2-7-4-3-6(1)5-7/h3-6,9H,2,7-8H2,1H3,(H,16,18);1-2,6-7H,3-5H2/t;6-,7?/m.1/s1
InChIKeyOLVFWQYSDXJMIC-KXEXVYKCSA-N
XLogP4.59
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 145106800
4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane
CID 145106770
4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide
CID 121406306
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121407315
4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121393263
1-[4-chloro-1-(oxetan-3-yl)indol-3-yl]-2,2,2-trifluoroethanone
CID 121393520
4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide
CID 121393387
4-chloro-1-(oxetan-3-yl)-N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 121393311
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide
CID 159902782
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 131951604

Frequently Asked Questions

What is the IUPAC name of (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide?
The IUPAC name of (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide (CID 145106793) is (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide.
What is the SMILES notation for (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide?
The canonical SMILES for (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide is C1=C[C@@H]2CCC1C2.CCNC(=O)c1cn(C2COC2)c2cccc(Cl)c12.
What is the InChIKey of (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide?
The InChIKey is OLVFWQYSDXJMIC-KXEXVYKCSA-N. The full InChI is InChI=1S/C14H15ClN2O2.C7H10/c1-2-16-14(18)10-6-17(9-7-19-8-9)12-5-3-4-11(15)13(10)12;1-2-7-4-3-6(1)5-7/h3-6,9H,2,7-8H2,1H3,(H,16,18);1-2,6-7H,3-5H2/t;6-,7?/m.1/s1.
What are the key properties of (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide?
(4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide is sourced from PubChem (CID 145106793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).