3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide

C13H15ClN2O — CID 588711

IUPAC3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCCl)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H15ClN2O/c14-7-5-13(17)15-8-6-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,17)
InChIKeyOPKXWASJTNADKA-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.46
Rot. Bonds5

About 3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 588711) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID588711
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCCl)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H15ClN2O/c14-7-5-13(17)15-8-6-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,17)
InChIKeyOPKXWASJTNADKA-UHFFFAOYSA-N
XLogP2.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 588711) is 3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide is O=C(CCCl)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is OPKXWASJTNADKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-7-5-13(17)15-8-6-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,17).
What are the key properties of 3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 250.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 588711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).