7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide

C14H15ClN2O2 — CID 166475971

IUPAC7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide
SMILESC[C@@H]1OCC[C@@H]1NC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C14H15ClN2O2/c1-8-11(5-6-19-8)17-14(18)12-7-9-3-2-4-10(15)13(9)16-12/h2-4,7-8,11,16H,5-6H2,1H3,(H,17,18)/t8-,11-/m0/s1
InChIKeyALJIGJROSXIFRO-KWQFWETISA-N
MW278.74 g/mol
LogP2.73
Rot. Bonds2

About 7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide

7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide (PubChem CID 166475971) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide
PubChem CID166475971
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide
SMILESC[C@@H]1OCC[C@@H]1NC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C14H15ClN2O2/c1-8-11(5-6-19-8)17-14(18)12-7-9-3-2-4-10(15)13(9)16-12/h2-4,7-8,11,16H,5-6H2,1H3,(H,17,18)/t8-,11-/m0/s1
InChIKeyALJIGJROSXIFRO-KWQFWETISA-N
XLogP2.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-(2-methyloxolan-3-yl)-1H-indole-2-carboxamide
CID 166475954
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849434
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide
CID 63117948
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396
3-hydroxy-N-(2-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 82728809
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114918773
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-chloro-1H-indole-2-carboxamide
CID 108804038
6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82737181

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide (CID 166475971) is 7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide is C[C@@H]1OCC[C@@H]1NC(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide?
The InChIKey is ALJIGJROSXIFRO-KWQFWETISA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-8-11(5-6-19-8)17-14(18)12-7-9-3-2-4-10(15)13(9)16-12/h2-4,7-8,11,16H,5-6H2,1H3,(H,17,18)/t8-,11-/m0/s1.
What are the key properties of 7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide?
7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166475971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).