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

C15H14N4O2 — CID 177438943

IUPAC[(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate
SMILES[H]/N=C(\NC(=O)c1ccccc1)O/N=C(\N)c1ccccc1
InChIInChI=1S/C15H14N4O2/c16-13(11-7-3-1-4-8-11)19-21-15(17)18-14(20)12-9-5-2-6-10-12/h1-10H,(H2,16,19)(H2,17,18,20)
InChIKeyKTSUSCUAOOFTMK-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.69
Rot. Bonds3

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

[(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate (PubChem CID 177438943) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is [(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate.

Molecular Properties

Compound Name[(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate
PubChem CID177438943
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name[(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate
SMILES[H]/N=C(\NC(=O)c1ccccc1)O/N=C(\N)c1ccccc1
InChIInChI=1S/C15H14N4O2/c16-13(11-7-3-1-4-8-11)19-21-15(17)18-14(20)12-9-5-2-6-10-12/h1-10H,(H2,16,19)(H2,17,18,20)
InChIKeyKTSUSCUAOOFTMK-UHFFFAOYSA-N
XLogP1.69
TPSA100.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[(Z)-[amino(phenyl)methylidene]amino] propanoate
CID 12649620
methyl N-benzoylcarbamimidothioate
CID 138962835
N-carbamoylbenzamide;urea
CID 157303801
N'-methoxybenzenecarboximidamide
CID 10678407
N-(N-sulfonylcarbamimidoyl)benzamide
CID 140977847
(4-pyrimidin-2-ylsulfanylphenyl) N-benzoylcarbamimidate
CID 140539641
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-butanimidoylbenzamide
CID 174644030
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
lithium;hydride;N-methylbenzamide
CID 173287348

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate?
The IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate (CID 177438943) is [(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate.
What is the SMILES notation for [(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate?
The canonical SMILES for [(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate is [H]/N=C(\NC(=O)c1ccccc1)O/N=C(\N)c1ccccc1.
What is the InChIKey of [(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate?
The InChIKey is KTSUSCUAOOFTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-13(11-7-3-1-4-8-11)19-21-15(17)18-14(20)12-9-5-2-6-10-12/h1-10H,(H2,16,19)(H2,17,18,20).
What are the key properties of [(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate?
[(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate has a molecular weight of 282.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate is sourced from PubChem (CID 177438943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).