methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate

C20H19FN2O4 — CID 69031275

IUPACmethyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate
SMILESCOC(=O)c1cc(F)cc2[nH]c(-c3ccc(CN(C)C(=O)OC)cc3)cc12
InChIInChI=1S/C20H19FN2O4/c1-23(20(25)27-3)11-12-4-6-13(7-5-12)17-10-15-16(19(24)26-2)8-14(21)9-18(15)22-17/h4-10,22H,11H2,1-3H3
InChIKeyPJRAGOJGYBWMDA-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.96
Rot. Bonds4

About methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate

methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate (PubChem CID 69031275) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate
PubChem CID69031275
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Namemethyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate
SMILESCOC(=O)c1cc(F)cc2[nH]c(-c3ccc(CN(C)C(=O)OC)cc3)cc12
InChIInChI=1S/C20H19FN2O4/c1-23(20(25)27-3)11-12-4-6-13(7-5-12)17-10-15-16(19(24)26-2)8-14(21)9-18(15)22-17/h4-10,22H,11H2,1-3H3
InChIKeyPJRAGOJGYBWMDA-UHFFFAOYSA-N
XLogP3.96
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate?
The IUPAC name of methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate (CID 69031275) is methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate is COC(=O)c1cc(F)cc2[nH]c(-c3ccc(CN(C)C(=O)OC)cc3)cc12.
What is the InChIKey of methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate?
The InChIKey is PJRAGOJGYBWMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-23(20(25)27-3)11-12-4-6-13(7-5-12)17-10-15-16(19(24)26-2)8-14(21)9-18(15)22-17/h4-10,22H,11H2,1-3H3.
What are the key properties of methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate?
methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate has a molecular weight of 370.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-[4-[[methoxycarbonyl(methyl)amino]methyl]phenyl]-1H-indole-4-carboxylate is sourced from PubChem (CID 69031275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).