methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate

C17H13FN2O3 — CID 113205725

IUPACmethyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2c[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C17H13FN2O3/c1-23-17(22)10-3-2-4-12(7-10)20-16(21)14-9-19-15-6-5-11(18)8-13(14)15/h2-9,19H,1H3,(H,20,21)
InChIKeyWZSMTLCGTNBFLL-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.35
Rot. Bonds3

About methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate

methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate (PubChem CID 113205725) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate
PubChem CID113205725
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Namemethyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2c[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C17H13FN2O3/c1-23-17(22)10-3-2-4-12(7-10)20-16(21)14-9-19-15-6-5-11(18)8-13(14)15/h2-9,19H,1H3,(H,20,21)
InChIKeyWZSMTLCGTNBFLL-UHFFFAOYSA-N
XLogP3.35
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205749
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 43422875
5,6-dimethoxy-N-(3-methoxyphenyl)-1H-indole-3-carboxamide
CID 113206986
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109092752
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate (CID 113205725) is methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2c[nH]c3ccc(F)cc23)c1.
What is the InChIKey of methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate?
The InChIKey is WZSMTLCGTNBFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-23-17(22)10-3-2-4-12(7-10)20-16(21)14-9-19-15-6-5-11(18)8-13(14)15/h2-9,19H,1H3,(H,20,21).
What are the key properties of methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate?
methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate has a molecular weight of 312.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 113205725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).