N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide

C14H17ClN2O — CID 113085985

IUPACN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H17ClN2O/c1-3-14(18)16-7-6-11-9(2)17-13-5-4-10(15)8-12(11)13/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyZARYPUJCMZMLAY-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.20
Rot. Bonds4

About N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide (PubChem CID 113085985) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
PubChem CID113085985
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H17ClN2O/c1-3-14(18)16-7-6-11-9(2)17-13-5-4-10(15)8-12(11)13/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyZARYPUJCMZMLAY-UHFFFAOYSA-N
XLogP3.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 91833579
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
CID 113086048
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 113086044
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72842739
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 113086011

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide (CID 113085985) is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide is CCC(=O)NCCc1c(C)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is ZARYPUJCMZMLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-14(18)16-7-6-11-9(2)17-13-5-4-10(15)8-12(11)13/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide?
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 264.76 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 113085985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).