5-(6-chloroindol-1-yl)pentanamide

C13H15ClN2O — CID 114281787

IUPAC5-(6-chloroindol-1-yl)pentanamide
SMILESNC(=O)CCCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C13H15ClN2O/c14-11-5-4-10-6-8-16(12(10)9-11)7-2-1-3-13(15)17/h4-6,8-9H,1-3,7H2,(H2,15,17)
InChIKeyFSDBLHAHBGYCNK-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.95
Rot. Bonds5

About 5-(6-chloroindol-1-yl)pentanamide

5-(6-chloroindol-1-yl)pentanamide (PubChem CID 114281787) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-(6-chloroindol-1-yl)pentanamide.

Molecular Properties

Compound Name5-(6-chloroindol-1-yl)pentanamide
PubChem CID114281787
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name5-(6-chloroindol-1-yl)pentanamide
SMILESNC(=O)CCCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C13H15ClN2O/c14-11-5-4-10-6-8-16(12(10)9-11)7-2-1-3-13(15)17/h4-6,8-9H,1-3,7H2,(H2,15,17)
InChIKeyFSDBLHAHBGYCNK-UHFFFAOYSA-N
XLogP2.95
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(6-chloroindol-1-yl)pentan-2-one
CID 62023769
1-(4-bromobutyl)-6-chloroindole
CID 135074562
1-butyl-6-chloroindole
CID 67583801
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
3-(6-carbamothioylindol-1-yl)propanamide
CID 107917374
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
1-(3-aminopropyl)indole-6-carboxylic acid
CID 83946639
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
6-(6-fluoroindol-1-yl)hexan-2-one
CID 62025777
5-(6-methylindol-1-yl)pentanehydrazide
CID 63577406
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloroindol-1-yl)pentanamide?
The IUPAC name of 5-(6-chloroindol-1-yl)pentanamide (CID 114281787) is 5-(6-chloroindol-1-yl)pentanamide.
What is the SMILES notation for 5-(6-chloroindol-1-yl)pentanamide?
The canonical SMILES for 5-(6-chloroindol-1-yl)pentanamide is NC(=O)CCCCn1ccc2ccc(Cl)cc21.
What is the InChIKey of 5-(6-chloroindol-1-yl)pentanamide?
The InChIKey is FSDBLHAHBGYCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-11-5-4-10-6-8-16(12(10)9-11)7-2-1-3-13(15)17/h4-6,8-9H,1-3,7H2,(H2,15,17).
What are the key properties of 5-(6-chloroindol-1-yl)pentanamide?
5-(6-chloroindol-1-yl)pentanamide has a molecular weight of 250.73 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloroindol-1-yl)pentanamide is sourced from PubChem (CID 114281787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).