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

C14H17ClN2O2 — CID 124607872

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H17ClN2O2/c1-19-7-5-14(18)16-6-4-10-9-17-13-3-2-11(15)8-12(10)13/h2-3,8-9,17H,4-7H2,1H3,(H,16,18)
InChIKeyMRUNTPXHCCRUTR-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.52
Rot. Bonds6

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide (PubChem CID 124607872) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
PubChem CID124607872
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H17ClN2O2/c1-19-7-5-14(18)16-6-4-10-9-17-13-3-2-11(15)8-12(10)13/h2-3,8-9,17H,4-7H2,1H3,(H,16,18)
InChIKeyMRUNTPXHCCRUTR-UHFFFAOYSA-N
XLogP2.52
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 84581868
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039
5-chloro-2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 2988910
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide (CID 124607872) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide is COCCC(=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide?
The InChIKey is MRUNTPXHCCRUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-19-7-5-14(18)16-6-4-10-9-17-13-3-2-11(15)8-12(10)13/h2-3,8-9,17H,4-7H2,1H3,(H,16,18).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide has a molecular weight of 280.76 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 124607872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).