[4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate

C15H14N4O4 — CID 19845067

IUPAC[4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate
SMILESNNC(=O)Oc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H14N4O4/c16-19-15(22)23-12-8-6-11(7-9-12)18-14(21)13(20)17-10-4-2-1-3-5-10/h1-9H,16H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyLSWVSJMFFFPFFW-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.23
Rot. Bonds3

About [4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate

[4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate (PubChem CID 19845067) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is [4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate.

Molecular Properties

Compound Name[4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate
PubChem CID19845067
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name[4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate
SMILESNNC(=O)Oc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H14N4O4/c16-19-15(22)23-12-8-6-11(7-9-12)18-14(21)13(20)17-10-4-2-1-3-5-10/h1-9H,16H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyLSWVSJMFFFPFFW-UHFFFAOYSA-N
XLogP1.23
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-phenoxy-N-phenylbut-2-enamide
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1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
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CID 108514453
N'-hydroxy-N-phenyloxamide
CID 5008441
(4-cyanophenyl) 2-anilino-2-oxoacetate
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(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
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[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921

Frequently Asked Questions

What is the IUPAC name of [4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate?
The IUPAC name of [4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate (CID 19845067) is [4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate.
What is the SMILES notation for [4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate?
The canonical SMILES for [4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate is NNC(=O)Oc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of [4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate?
The InChIKey is LSWVSJMFFFPFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c16-19-15(22)23-12-8-6-11(7-9-12)18-14(21)13(20)17-10-4-2-1-3-5-10/h1-9H,16H2,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of [4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate?
[4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate has a molecular weight of 314.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate is sourced from PubChem (CID 19845067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).