4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide

C16H19ClN2O — CID 72713750

IUPAC4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3c(Cl)cccc3[nH]2)CC1
InChIInChI=1S/C16H19ClN2O/c1-10-5-7-11(8-6-10)18-16(20)15-9-12-13(17)3-2-4-14(12)19-15/h2-4,9-11,19H,5-8H2,1H3,(H,18,20)
InChIKeyNYMJRFRRVIFTRU-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.13
Rot. Bonds2

About 4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide

4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide (PubChem CID 72713750) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
PubChem CID72713750
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3c(Cl)cccc3[nH]2)CC1
InChIInChI=1S/C16H19ClN2O/c1-10-5-7-11(8-6-10)18-16(20)15-9-12-13(17)3-2-4-14(12)19-15/h2-4,9-11,19H,5-8H2,1H3,(H,18,20)
InChIKeyNYMJRFRRVIFTRU-UHFFFAOYSA-N
XLogP4.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide (CID 72713750) is 4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide is CC1CCC(NC(=O)c2cc3c(Cl)cccc3[nH]2)CC1.
What is the InChIKey of 4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The InChIKey is NYMJRFRRVIFTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10-5-7-11(8-6-10)18-16(20)15-9-12-13(17)3-2-4-14(12)19-15/h2-4,9-11,19H,5-8H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 72713750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).