methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate

C20H23ClN2O3 — CID 109008060

IUPACmethyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate
SMILESCCc1cccc(CC)c1NC(=O)CNc1cc(C(=O)OC)ccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-4-13-7-6-8-14(5-2)19(13)23-18(24)12-22-17-11-15(20(25)26-3)9-10-16(17)21/h6-11,22H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyDZYIXQWVLBQFPX-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.30
Rot. Bonds7

About methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate

methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate (PubChem CID 109008060) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate
PubChem CID109008060
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Namemethyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate
SMILESCCc1cccc(CC)c1NC(=O)CNc1cc(C(=O)OC)ccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-4-13-7-6-8-14(5-2)19(13)23-18(24)12-22-17-11-15(20(25)26-3)9-10-16(17)21/h6-11,22H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyDZYIXQWVLBQFPX-UHFFFAOYSA-N
XLogP4.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
CID 109010264
methyl 4-chloro-3-[3-(2-ethyl-6-methylanilino)propanoylamino]benzoate
CID 109036674
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 110929600
methyl 4-chloro-3-[[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 108992829
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
CID 109007805
methyl 4-chloro-3-[3-(2-ethylanilino)propanoylamino]benzoate
CID 109036221
methyl 4-chloro-3-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009549
methyl 4-chloro-3-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008110
methyl 4-chloro-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]benzoate
CID 108992903

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate (CID 109008060) is methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate is CCc1cccc(CC)c1NC(=O)CNc1cc(C(=O)OC)ccc1Cl.
What is the InChIKey of methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is DZYIXQWVLBQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-4-13-7-6-8-14(5-2)19(13)23-18(24)12-22-17-11-15(20(25)26-3)9-10-16(17)21/h6-11,22H,4-5,12H2,1-3H3,(H,23,24).
What are the key properties of methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate?
methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 374.87 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109008060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).