butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate

C19H18Cl2N2O4 — CID 108500944

IUPACbutyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H18Cl2N2O4/c1-2-3-10-27-19(26)13-6-4-5-7-15(13)22-17(24)18(25)23-16-11-12(20)8-9-14(16)21/h4-9,11H,2-3,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyYDRXNGBCDFPKKQ-UHFFFAOYSA-N
MW409.27 g/mol
LogP4.53
Rot. Bonds6

About butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate

butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate (PubChem CID 108500944) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate
PubChem CID108500944
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Namebutyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H18Cl2N2O4/c1-2-3-10-27-19(26)13-6-4-5-7-15(13)22-17(24)18(25)23-16-11-12(20)8-9-14(16)21/h4-9,11H,2-3,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyYDRXNGBCDFPKKQ-UHFFFAOYSA-N
XLogP4.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoacetyl]amino]benzoate
CID 108514543
butyl 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoacetyl]amino]benzoate
CID 108514570
butyl 2-[[(Z)-3-(5-chloro-2-methylanilino)-2-cyanoprop-2-enoyl]amino]benzoate
CID 108855938
butyl 2-[[2-oxo-2-(pyrimidin-2-ylamino)acetyl]amino]benzoate
CID 108514572
butyl 2-[[2-(2-amino-5-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108514704
butyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoacetyl]amino]benzoate
CID 108514593
butyl 2-[[2-[4-(dimethylamino)anilino]-2-oxoacetyl]amino]benzoate
CID 108514620
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
butyl 2-[[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)acetyl]amino]benzoate
CID 108514607
butyl 2-[2-(3,4-dichlorophenyl)ethylcarbamoylamino]benzoate
CID 3404417
butyl 2-[[2-[(4-aminobenzoyl)amino]-2-oxoacetyl]amino]benzoate
CID 108514644
butyl 2-[[2-(N-ethylanilino)-2-oxoacetyl]amino]benzoate
CID 108514559

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate (CID 108500944) is butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate?
The InChIKey is YDRXNGBCDFPKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-2-3-10-27-19(26)13-6-4-5-7-15(13)22-17(24)18(25)23-16-11-12(20)8-9-14(16)21/h4-9,11H,2-3,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate?
butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate has a molecular weight of 409.27 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108500944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).