methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate

C18H15ClN2O3 — CID 46559753

IUPACmethyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C18H15ClN2O3/c1-24-18(23)12-4-2-11(3-5-12)10-20-17(22)16-9-13-8-14(19)6-7-15(13)21-16/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyKUQFHGJSEUSLOF-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.54
Rot. Bonds4

About methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate

methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate (PubChem CID 46559753) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
PubChem CID46559753
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Namemethyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C18H15ClN2O3/c1-24-18(23)12-4-2-11(3-5-12)10-20-17(22)16-9-13-8-14(19)6-7-15(13)21-16/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyKUQFHGJSEUSLOF-UHFFFAOYSA-N
XLogP3.54
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207244
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 46558117
5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 38557691
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
methyl 2-[[2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 60556151
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide
CID 111662774

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate (CID 46559753) is methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate?
The InChIKey is KUQFHGJSEUSLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-24-18(23)12-4-2-11(3-5-12)10-20-17(22)16-9-13-8-14(19)6-7-15(13)21-16/h2-9,21H,10H2,1H3,(H,20,22).
What are the key properties of methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate?
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate has a molecular weight of 342.78 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 46559753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).