methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate

C17H13ClN2O3 — CID 110861824

IUPACmethyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cccc3cc[nH]c23)c1
InChIInChI=1S/C17H13ClN2O3/c1-23-17(22)11-5-6-13(18)14(9-11)20-16(21)12-4-2-3-10-7-8-19-15(10)12/h2-9,19H,1H3,(H,20,21)
InChIKeyWMLJCYHRVXCMCE-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.86
Rot. Bonds3

About methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate

methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate (PubChem CID 110861824) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate
PubChem CID110861824
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Namemethyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cccc3cc[nH]c23)c1
InChIInChI=1S/C17H13ClN2O3/c1-23-17(22)11-5-6-13(18)14(9-11)20-16(21)12-4-2-3-10-7-8-19-15(10)12/h2-9,19H,1H3,(H,20,21)
InChIKeyWMLJCYHRVXCMCE-UHFFFAOYSA-N
XLogP3.86
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 92679714
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methyl 4-chloro-3-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
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methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571
methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate
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methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704696
methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate
CID 21372616
methyl 4-chloro-3-[(6,8-dimethyl-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
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methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
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methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
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N-(1H-indol-4-yl)-1H-indole-7-carboxamide
CID 112526402

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate?
The IUPAC name of methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate (CID 110861824) is methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate?
The canonical SMILES for methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2cccc3cc[nH]c23)c1.
What is the InChIKey of methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate?
The InChIKey is WMLJCYHRVXCMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-17(22)11-5-6-13(18)14(9-11)20-16(21)12-4-2-3-10-7-8-19-15(10)12/h2-9,19H,1H3,(H,20,21).
What are the key properties of methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate?
methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate has a molecular weight of 328.76 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate is sourced from PubChem (CID 110861824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).