ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate

C14H15ClN2O3 — CID 75976916

IUPACethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H15ClN2O3/c1-3-20-14(19)8(2)17-13(18)11-7-16-12-6-9(15)4-5-10(11)12/h4-8,16H,3H2,1-2H3,(H,17,18)
InChIKeyJRPHVOOLUGNYKH-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.50
Rot. Bonds4

About ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate

ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate (PubChem CID 75976916) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate
PubChem CID75976916
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Nameethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H15ClN2O3/c1-3-20-14(19)8(2)17-13(18)11-7-16-12-6-9(15)4-5-10(11)12/h4-8,16H,3H2,1-2H3,(H,17,18)
InChIKeyJRPHVOOLUGNYKH-UHFFFAOYSA-N
XLogP2.50
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate 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

ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
CID 113206344
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide
CID 113206447
ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
CID 47069930
6-chloro-1H-indole-3-carboxamide
CID 130666489
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-3-carboxamide
CID 113206502
ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
CID 113208895
1-(6-chloro-1H-indol-3-yl)heptan-1-one
CID 114752147
1-(6-chloro-1H-indol-3-yl)octan-1-one
CID 43341995
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate (CID 75976916) is ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate?
The InChIKey is JRPHVOOLUGNYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-20-14(19)8(2)17-13(18)11-7-16-12-6-9(15)4-5-10(11)12/h4-8,16H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate?
ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate has a molecular weight of 294.74 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 75976916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).