methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate

C16H14Cl2N2O3 — CID 34067227

IUPACmethyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-16(22)10-4-2-5-11(8-10)19-9-14(21)20-13-7-3-6-12(17)15(13)18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyRCXUZZCJAAPTTD-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.83
Rot. Bonds5

About methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate

methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate (PubChem CID 34067227) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate
PubChem CID34067227
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Namemethyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-16(22)10-4-2-5-11(8-10)19-9-14(21)20-13-7-3-6-12(17)15(13)18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyRCXUZZCJAAPTTD-UHFFFAOYSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54840911
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide
CID 31418197
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 3-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 36586894
N-(2,3-dichlorophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100051
2-(4-chloroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 26417216
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
methyl 3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate
CID 108992868
methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 47013640

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate (CID 34067227) is methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate is COC(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is RCXUZZCJAAPTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-16(22)10-4-2-5-11(8-10)19-9-14(21)20-13-7-3-6-12(17)15(13)18/h2-8,19H,9H2,1H3,(H,20,21).
What are the key properties of methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate?
methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 353.21 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 34067227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).