4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide

C20H25ClN2O2 — CID 121393387

IUPAC4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cn(C2CCOC2)c2cccc(Cl)c12
InChIInChI=1S/C20H25ClN2O2/c21-17-7-4-8-18-19(17)16(12-23(18)15-9-10-25-13-15)20(24)22-11-14-5-2-1-3-6-14/h4,7-8,12,14-15H,1-3,5-6,9-11,13H2,(H,22,24)
InChIKeyPBCVXOVXFXJEQS-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.57
Rot. Bonds4

About 4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide

4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide (PubChem CID 121393387) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide
PubChem CID121393387
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cn(C2CCOC2)c2cccc(Cl)c12
InChIInChI=1S/C20H25ClN2O2/c21-17-7-4-8-18-19(17)16(12-23(18)15-9-10-25-13-15)20(24)22-11-14-5-2-1-3-6-14/h4,7-8,12,14-15H,1-3,5-6,9-11,13H2,(H,22,24)
InChIKeyPBCVXOVXFXJEQS-UHFFFAOYSA-N
XLogP4.57
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide (CID 121393387) is 4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide is O=C(NCC1CCCCC1)c1cn(C2CCOC2)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide?
The InChIKey is PBCVXOVXFXJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c21-17-7-4-8-18-19(17)16(12-23(18)15-9-10-25-13-15)20(24)22-11-14-5-2-1-3-6-14/h4,7-8,12,14-15H,1-3,5-6,9-11,13H2,(H,22,24).
What are the key properties of 4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide?
4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide is sourced from PubChem (CID 121393387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).