7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

C14H15ClN2O2 — CID 110849434

IUPAC7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C14H15ClN2O2/c15-11-5-1-3-9-7-12(17-13(9)11)14(18)16-8-10-4-2-6-19-10/h1,3,5,7,10,17H,2,4,6,8H2,(H,16,18)
InChIKeyRAFMYUJPHPVWBO-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.73
Rot. Bonds3

About 7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 110849434) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID110849434
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C14H15ClN2O2/c15-11-5-1-3-9-7-12(17-13(9)11)14(18)16-8-10-4-2-6-19-10/h1,3,5,7,10,17H,2,4,6,8H2,(H,16,18)
InChIKeyRAFMYUJPHPVWBO-UHFFFAOYSA-N
XLogP2.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 39977668
7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide
CID 62058041
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
7-chloro-N-(2-methyloxolan-3-yl)-1H-indole-2-carboxamide
CID 166475954
7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide
CID 166475971
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (CID 110849434) is 7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is O=C(NCC1CCCO1)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is RAFMYUJPHPVWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-5-1-3-9-7-12(17-13(9)11)14(18)16-8-10-4-2-6-19-10/h1,3,5,7,10,17H,2,4,6,8H2,(H,16,18).
What are the key properties of 7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 110849434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).