[2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate

C16H14ClN3O4 — CID 2348332

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C16H14ClN3O4/c17-10-3-6-12(13(18)7-10)16(23)24-8-14(21)20-11-4-1-9(2-5-11)15(19)22/h1-7H,8,18H2,(H2,19,22)(H,20,21)
InChIKeyIYMCRBASFXHVAP-UHFFFAOYSA-N
MW347.76 g/mol
LogP1.82
Rot. Bonds5

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate (PubChem CID 2348332) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
PubChem CID2348332
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C16H14ClN3O4/c17-10-3-6-12(13(18)7-10)16(23)24-8-14(21)20-11-4-1-9(2-5-11)15(19)22/h1-7H,8,18H2,(H2,19,22)(H,20,21)
InChIKeyIYMCRBASFXHVAP-UHFFFAOYSA-N
XLogP1.82
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864589
[2-(4-acetamidoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864627
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509050
[2-(4-cyanoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864602
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7630703
[2-(3-ethylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2513141
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-amino-4-chlorobenzoate
CID 24661458
(2-amino-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 2389727
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509015
[2-(4-ethylanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472473
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664457
[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 2715251

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate (CID 2348332) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate is NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2N)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
The InChIKey is IYMCRBASFXHVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c17-10-3-6-12(13(18)7-10)16(23)24-8-14(21)20-11-4-1-9(2-5-11)15(19)22/h1-7H,8,18H2,(H2,19,22)(H,20,21).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate has a molecular weight of 347.76 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate is sourced from PubChem (CID 2348332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).