6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid

C16H19ClN2O3 — CID 45492894

IUPAC6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cn1ccc2c(Cl)cccc21
InChIInChI=1S/C16H19ClN2O3/c17-13-5-4-6-14-12(13)8-10-19(14)11-15(20)18-9-3-1-2-7-16(21)22/h4-6,8,10H,1-3,7,9,11H2,(H,18,20)(H,21,22)
InChIKeyNLTOJFMVAXQZLF-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.06
Rot. Bonds8

About 6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid

6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid (PubChem CID 45492894) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid
PubChem CID45492894
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cn1ccc2c(Cl)cccc21
InChIInChI=1S/C16H19ClN2O3/c17-13-5-4-6-14-12(13)8-10-19(14)11-15(20)18-9-3-1-2-7-16(21)22/h4-6,8,10H,1-3,7,9,11H2,(H,18,20)(H,21,22)
InChIKeyNLTOJFMVAXQZLF-UHFFFAOYSA-N
XLogP3.06
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-indol-1-ylacetyl)amino]heptanoic acid
CID 119227491
2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623796
2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 116623818
6-[[2-(3-acetylindol-1-yl)acetyl]amino]hexanoic acid
CID 45492699
(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 45496037
2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide
CID 52899114
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 71704022
2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 39334901
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid (CID 45492894) is 6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)Cn1ccc2c(Cl)cccc21.
What is the InChIKey of 6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is NLTOJFMVAXQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-13-5-4-6-14-12(13)8-10-19(14)11-15(20)18-9-3-1-2-7-16(21)22/h4-6,8,10H,1-3,7,9,11H2,(H,18,20)(H,21,22).
What are the key properties of 6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid?
6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 322.79 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 45492894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).