N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide

C17H21ClN2O — CID 6498761

IUPACN-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide
SMILESCn1c(CNC(=O)C2CCCCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C17H21ClN2O/c1-20-15(10-13-9-14(18)7-8-16(13)20)11-19-17(21)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,19,21)
InChIKeyUBBVGKQQOFZHDV-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.03
Rot. Bonds3

About N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide

N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 6498761) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide
PubChem CID6498761
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide
SMILESCn1c(CNC(=O)C2CCCCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C17H21ClN2O/c1-20-15(10-13-9-14(18)7-8-16(13)20)11-19-17(21)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,19,21)
InChIKeyUBBVGKQQOFZHDV-UHFFFAOYSA-N
XLogP4.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide (CID 6498761) is N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide is Cn1c(CNC(=O)C2CCCCC2)cc2cc(Cl)ccc21.
What is the InChIKey of N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is UBBVGKQQOFZHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-20-15(10-13-9-14(18)7-8-16(13)20)11-19-17(21)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,19,21).
What are the key properties of N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide?
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 304.82 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylindol-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 6498761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).