methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate

C17H13FN2O3 — CID 947964

IUPACmethyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1F
InChIInChI=1S/C17H13FN2O3/c1-23-17(22)15-14(11-7-3-5-9-13(11)19-15)20-16(21)10-6-2-4-8-12(10)18/h2-9,19H,1H3,(H,20,21)
InChIKeyWPLVCKVWTOTHPF-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.35
Rot. Bonds3

About methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate

methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate (PubChem CID 947964) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate
PubChem CID947964
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Namemethyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1F
InChIInChI=1S/C17H13FN2O3/c1-23-17(22)15-14(11-7-3-5-9-13(11)19-15)20-16(21)10-6-2-4-8-12(10)18/h2-9,19H,1H3,(H,20,21)
InChIKeyWPLVCKVWTOTHPF-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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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate (CID 947964) is methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1F.
What is the InChIKey of methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate?
The InChIKey is WPLVCKVWTOTHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-23-17(22)15-14(11-7-3-5-9-13(11)19-15)20-16(21)10-6-2-4-8-12(10)18/h2-9,19H,1H3,(H,20,21).
What are the key properties of methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate?
methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate 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-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 947964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).