N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C19H23ClN2O2 — CID 171731816

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3CC4CCC3O4)cc2cc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-10(2)14-8-17-11(6-16(14)20)5-12(22-17)9-21-19(23)15-7-13-3-4-18(15)24-13/h5-6,8,10,13,15,18,22H,3-4,7,9H2,1-2H3,(H,21,23)
InChIKeyDXDBSRNDXDGTGB-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.13
Rot. Bonds4

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 171731816) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID171731816
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3CC4CCC3O4)cc2cc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-10(2)14-8-17-11(6-16(14)20)5-12(22-17)9-21-19(23)15-7-13-3-4-18(15)24-13/h5-6,8,10,13,15,18,22H,3-4,7,9H2,1-2H3,(H,21,23)
InChIKeyDXDBSRNDXDGTGB-UHFFFAOYSA-N
XLogP4.13
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 71931295
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide
CID 171519036
N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide
CID 171519487
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide
CID 171731975
N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide
CID 136555638
rel-(1R,2R,4S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 145942778
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71870646
1-[6-Chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-(oxolan-2-yl)ethanone
CID 71558970
N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane
CID 171517815
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
CID 171517830
N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane
CID 171517860
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide
CID 171517879

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 171731816) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is CC(C)c1cc2[nH]c(CNC(=O)C3CC4CCC3O4)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is DXDBSRNDXDGTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-10(2)14-8-17-11(6-16(14)20)5-12(22-17)9-21-19(23)15-7-13-3-4-18(15)24-13/h5-6,8,10,13,15,18,22H,3-4,7,9H2,1-2H3,(H,21,23).
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 171731816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).