methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate

C18H14FNO3 — CID 18993213

IUPACmethyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]cc(C(=O)c3ccc(C)c(F)c3)c12
InChIInChI=1S/C18H14FNO3/c1-10-6-7-11(8-14(10)19)17(21)13-9-20-15-5-3-4-12(16(13)15)18(22)23-2/h3-9,20H,1-2H3
InChIKeyBOJIEHJJFRGTQH-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.63
Rot. Bonds3

About methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate

methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate (PubChem CID 18993213) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate
PubChem CID18993213
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Namemethyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]cc(C(=O)c3ccc(C)c(F)c3)c12
InChIInChI=1S/C18H14FNO3/c1-10-6-7-11(8-14(10)19)17(21)13-9-20-15-5-3-4-12(16(13)15)18(22)23-2/h3-9,20H,1-2H3
InChIKeyBOJIEHJJFRGTQH-UHFFFAOYSA-N
XLogP3.63
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-chloroacetyl)-1H-indole-4-carboxylate
CID 23374520
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115351557
(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137
(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43341896
(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793459
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387014

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate?
The IUPAC name of methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate (CID 18993213) is methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate?
The canonical SMILES for methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate is COC(=O)c1cccc2[nH]cc(C(=O)c3ccc(C)c(F)c3)c12.
What is the InChIKey of methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate?
The InChIKey is BOJIEHJJFRGTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-10-6-7-11(8-14(10)19)17(21)13-9-20-15-5-3-4-12(16(13)15)18(22)23-2/h3-9,20H,1-2H3.
What are the key properties of methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate?
methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate has a molecular weight of 311.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate is sourced from PubChem (CID 18993213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).