methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate

C17H14Cl2N2O4 — CID 46828283

IUPACmethyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O4/c1-25-15(22)9-20-16(23)10-2-5-12(6-3-10)21-17(24)13-8-11(18)4-7-14(13)19/h2-8H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyZKBDXRDGEUDGDO-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.15
Rot. Bonds5

About methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate

methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate (PubChem CID 46828283) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
PubChem CID46828283
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Namemethyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O4/c1-25-15(22)9-20-16(23)10-2-5-12(6-3-10)21-17(24)13-8-11(18)4-7-14(13)19/h2-8H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyZKBDXRDGEUDGDO-UHFFFAOYSA-N
XLogP3.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
CID 60596590
methyl 2-[[4-[(2-bromo-5-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 46611840
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
CID 1218600
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
methyl 2-[[4-[(2-iodo-3-methylbenzoyl)amino]benzoyl]amino]acetate
CID 38930563
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate
CID 60606151
N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
CID 1370195
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate (CID 46828283) is methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate?
The InChIKey is ZKBDXRDGEUDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-25-15(22)9-20-16(23)10-2-5-12(6-3-10)21-17(24)13-8-11(18)4-7-14(13)19/h2-8H,9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate?
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate has a molecular weight of 381.22 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate is sourced from PubChem (CID 46828283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).