5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide

C13H15ClN2O2 — CID 4897321

IUPAC5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
SMILESCOCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C13H15ClN2O2/c1-18-6-2-5-15-13(17)12-8-9-7-10(14)3-4-11(9)16-12/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17)
InChIKeyDRSVLUAJAPRWGT-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.59
Rot. Bonds5

About 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide

5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide (PubChem CID 4897321) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
PubChem CID4897321
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
SMILESCOCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C13H15ClN2O2/c1-18-6-2-5-15-13(17)12-8-9-7-10(14)3-4-11(9)16-12/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17)
InChIKeyDRSVLUAJAPRWGT-UHFFFAOYSA-N
XLogP2.59
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 134002903
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 93077018
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
CID 39983958
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
5-chloro-N-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 130405471
5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide
CID 111662774

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide (CID 4897321) is 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide is COCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide?
The InChIKey is DRSVLUAJAPRWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-18-6-2-5-15-13(17)12-8-9-7-10(14)3-4-11(9)16-12/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide?
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 4897321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).