4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide

C16H18Cl2N2O — CID 72713743

IUPAC4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C16H18Cl2N2O/c1-9-4-2-3-5-13(9)20-16(21)15-8-11-12(18)6-10(17)7-14(11)19-15/h6-9,13,19H,2-5H2,1H3,(H,20,21)/t9-,13+/m0/s1
InChIKeyJKXCORRVLFGYSE-TVQRCGJNSA-N
MW325.24 g/mol
LogP4.78
Rot. Bonds2

About 4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide

4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide (PubChem CID 72713743) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide
PubChem CID72713743
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C16H18Cl2N2O/c1-9-4-2-3-5-13(9)20-16(21)15-8-11-12(18)6-10(17)7-14(11)19-15/h6-9,13,19H,2-5H2,1H3,(H,20,21)/t9-,13+/m0/s1
InChIKeyJKXCORRVLFGYSE-TVQRCGJNSA-N
XLogP4.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide (CID 72713743) is 4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide is C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is JKXCORRVLFGYSE-TVQRCGJNSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-9-4-2-3-5-13(9)20-16(21)15-8-11-12(18)6-10(17)7-14(11)19-15/h6-9,13,19H,2-5H2,1H3,(H,20,21)/t9-,13+/m0/s1.
What are the key properties of 4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide?
4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 325.24 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 72713743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).