methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate

C14H16ClNO4 — CID 10851574

IUPACmethyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate
SMILESCCOc1c(C(=O)OC)cc(Cl)c2c1CCN2C(C)=O
InChIInChI=1S/C14H16ClNO4/c1-4-20-13-9-5-6-16(8(2)17)12(9)11(15)7-10(13)14(18)19-3/h7H,4-6H2,1-3H3
InChIKeyMYDSSSOEDHOYAW-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.43
Rot. Bonds3

About methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate

methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate (PubChem CID 10851574) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate
PubChem CID10851574
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Namemethyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate
SMILESCCOc1c(C(=O)OC)cc(Cl)c2c1CCN2C(C)=O
InChIInChI=1S/C14H16ClNO4/c1-4-20-13-9-5-6-16(8(2)17)12(9)11(15)7-10(13)14(18)19-3/h7H,4-6H2,1-3H3
InChIKeyMYDSSSOEDHOYAW-UHFFFAOYSA-N
XLogP2.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-chloro-4-ethoxy-2H-benzotriazole-5-carboxylate
CID 10587144
methyl 4-chloro-7-ethoxy-2-oxo-3H-1,3-benzoxazole-6-carboxylate
CID 10612192
ethyl 5-chloro-2,3,4-triethoxybenzoate
CID 96709826
methyl 2-ethoxy-3,5-dihydroxybenzoate
CID 141013441
methyl 3-chloro-2-ethoxy-4-methylbenzoate
CID 164896159
methyl 3-chloro-5-cyano-4-ethoxybenzoate
CID 167091624
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654353
methyl 3-bromo-5-(bromomethyl)-2-ethoxybenzoate
CID 146456843
propan-2-yl 5-chloro-2,3,4-triethoxybenzoate
CID 96709827
(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835683
4-acetyl-6-chloro-3-ethoxy-2-pyrrolidin-1-ylbenzonitrile
CID 86677838
methyl 4-acetamido-2-[2-(3-acetamido-2-bromo-4-chloro-6-methoxycarbonylphenoxy)ethoxy]-3-bromo-5-chlorobenzoate
CID 76847760

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate (CID 10851574) is methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate is CCOc1c(C(=O)OC)cc(Cl)c2c1CCN2C(C)=O.
What is the InChIKey of methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate?
The InChIKey is MYDSSSOEDHOYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-4-20-13-9-5-6-16(8(2)17)12(9)11(15)7-10(13)14(18)19-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate?
methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyl-7-chloro-4-ethoxy-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 10851574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).