phenylcarbamoyl benzenecarboximidate

C14H12N2O2 — CID 142010555

IUPACphenylcarbamoyl benzenecarboximidate
SMILES[H]/N=C(\OC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c15-13(11-7-3-1-4-8-11)18-14(17)16-12-9-5-2-6-10-12/h1-10,15H,(H,16,17)/b15-13-
InChIKeyZIEOTAZTRSLSDH-SQFISAMPSA-N
MW240.26 g/mol
LogP3.26
Rot. Bonds2

About phenylcarbamoyl benzenecarboximidate

phenylcarbamoyl benzenecarboximidate (PubChem CID 142010555) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is phenylcarbamoyl benzenecarboximidate.

Molecular Properties

Compound Namephenylcarbamoyl benzenecarboximidate
PubChem CID142010555
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Namephenylcarbamoyl benzenecarboximidate
SMILES[H]/N=C(\OC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c15-13(11-7-3-1-4-8-11)18-14(17)16-12-9-5-2-6-10-12/h1-10,15H,(H,16,17)/b15-13-
InChIKeyZIEOTAZTRSLSDH-SQFISAMPSA-N
XLogP3.26
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

bis(benzenecarboximidoyl) oxalate
CID 174616072
[[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate
CID 576626
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
CID 68594224
CID 68594224
molecular hydrogen;N-phenylbenzamide
CID 145238042
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
[(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate
CID 6371713
[2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate
CID 142010537
benzamido N-(4-chlorophenyl)carbamate
CID 134110176
methyl 5-[2-(benzenecarboximidoyloxy)prop-2-enyl]thiophene-2-carboxylate
CID 170733917
S-carbamimidoyl N-phenylcarbamothioate
CID 87475883
benzamide;phenylurea
CID 143432016

Frequently Asked Questions

What is the IUPAC name of phenylcarbamoyl benzenecarboximidate?
The IUPAC name of phenylcarbamoyl benzenecarboximidate (CID 142010555) is phenylcarbamoyl benzenecarboximidate.
What is the SMILES notation for phenylcarbamoyl benzenecarboximidate?
The canonical SMILES for phenylcarbamoyl benzenecarboximidate is [H]/N=C(\OC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of phenylcarbamoyl benzenecarboximidate?
The InChIKey is ZIEOTAZTRSLSDH-SQFISAMPSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-13(11-7-3-1-4-8-11)18-14(17)16-12-9-5-2-6-10-12/h1-10,15H,(H,16,17)/b15-13-.
What are the key properties of phenylcarbamoyl benzenecarboximidate?
phenylcarbamoyl benzenecarboximidate has a molecular weight of 240.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylcarbamoyl benzenecarboximidate is sourced from PubChem (CID 142010555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).