[(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate

C14H13N3O2 — CID 13378098

IUPAC[(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate
SMILESN/C(=N\OC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3O2/c15-13(11-7-3-1-4-8-11)17-19-14(18)16-12-9-5-2-6-10-12/h1-10H,(H2,15,17)(H,16,18)
InChIKeyCPDMYYDQZRVVEK-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.56
Rot. Bonds3

About [(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate

[(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate (PubChem CID 13378098) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate.

Molecular Properties

Compound Name[(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate
PubChem CID13378098
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name[(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate
SMILESN/C(=N\OC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3O2/c15-13(11-7-3-1-4-8-11)17-19-14(18)16-12-9-5-2-6-10-12/h1-10H,(H2,15,17)(H,16,18)
InChIKeyCPDMYYDQZRVVEK-UHFFFAOYSA-N
XLogP2.56
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.56
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'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate?
The IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate (CID 13378098) is [(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate.
What is the SMILES notation for [(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate?
The canonical SMILES for [(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate is N/C(=N\OC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate?
The InChIKey is CPDMYYDQZRVVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-13(11-7-3-1-4-8-11)17-19-14(18)16-12-9-5-2-6-10-12/h1-10H,(H2,15,17)(H,16,18).
What are the key properties of [(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate?
[(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate has a molecular weight of 255.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate is sourced from PubChem (CID 13378098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).