6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

C15H17ClN2O2 — CID 113205264

IUPAC6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O2/c1-9-12-5-4-10(16)7-13(12)18-14(9)15(19)17-8-11-3-2-6-20-11/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,17,19)
InChIKeyABJGQQGOACXXDX-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.04
Rot. Bonds3

About 6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 113205264) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID113205264
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O2/c1-9-12-5-4-10(16)7-13(12)18-14(9)15(19)17-8-11-3-2-6-20-11/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,17,19)
InChIKeyABJGQQGOACXXDX-UHFFFAOYSA-N
XLogP3.04
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
5-(azepan-1-ylsulfonyl)-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 11683177
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 46521932
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide
CID 31883572
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (CID 113205264) is 6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is Cc1c(C(=O)NCC2CCCO2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is ABJGQQGOACXXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-12-5-4-10(16)7-13(12)18-14(9)15(19)17-8-11-3-2-6-20-11/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,17,19).
What are the key properties of 6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113205264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).