[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate

C20H19ClN2O4 — CID 8816537

IUPAC[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H19ClN2O4/c1-12(19(24)22-16-10-13(21)8-9-18(16)26-3)27-20(25)15-11-23(2)17-7-5-4-6-14(15)17/h4-12H,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeySECMSZJRMGXALJ-LBPRGKRZSA-N
MW386.84 g/mol
LogP4.02
Rot. Bonds5

About [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate

[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate (PubChem CID 8816537) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
PubChem CID8816537
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H19ClN2O4/c1-12(19(24)22-16-10-13(21)8-9-18(16)26-3)27-20(25)15-11-23(2)17-7-5-4-6-14(15)17/h4-12H,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeySECMSZJRMGXALJ-LBPRGKRZSA-N
XLogP4.02
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-methoxybenzoate
CID 2506054
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 8596580
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228551
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 24520196
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7953599
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468159
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7492929
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7561151
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] benzoate
CID 17419639
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738415
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 2631331

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
The IUPAC name of [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate (CID 8816537) is [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
The canonical SMILES for [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate is COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
The InChIKey is SECMSZJRMGXALJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-12(19(24)22-16-10-13(21)8-9-18(16)26-3)27-20(25)15-11-23(2)17-7-5-4-6-14(15)17/h4-12H,1-3H3,(H,22,24)/t12-/m0/s1.
What are the key properties of [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate has a molecular weight of 386.84 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 8816537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).