7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide

C13H15ClN2O3 — CID 108791704

IUPAC7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCOCCO)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C13H15ClN2O3/c14-10-3-1-2-9-8-11(16-12(9)10)13(18)15-4-6-19-7-5-17/h1-3,8,16-17H,4-7H2,(H,15,18)
InChIKeyXAVNMVJANRIXNC-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.56
Rot. Bonds6

About 7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide

7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide (PubChem CID 108791704) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide
PubChem CID108791704
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCOCCO)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C13H15ClN2O3/c14-10-3-1-2-9-8-11(16-12(9)10)13(18)15-4-6-19-7-5-17/h1-3,8,16-17H,4-7H2,(H,15,18)
InChIKeyXAVNMVJANRIXNC-UHFFFAOYSA-N
XLogP1.56
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 108804029
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
CID 108791742
7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 108791679
7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 108791722
7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide
CID 106840111
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849434
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791770

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide (CID 108791704) is 7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide is O=C(NCCOCCO)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide?
The InChIKey is XAVNMVJANRIXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-3-1-2-9-8-11(16-12(9)10)13(18)15-4-6-19-7-5-17/h1-3,8,16-17H,4-7H2,(H,15,18).
What are the key properties of 7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide?
7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 108791704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).