N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide

C17H16N4O2 — CID 177423600

IUPACN-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide
SMILESC/C(=N/N=C/c1ccccc1)NC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-13(21-18-12-14-8-4-2-5-9-14)19-17(23)20-16(22)15-10-6-3-7-11-15/h2-12H,1H3,(H2,19,20,21,22,23)/b18-12+
InChIKeyLLEAMVOGFRQOER-LDADJPATSA-N
MW308.34 g/mol
LogP2.58
Rot. Bonds3

About N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide

N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide (PubChem CID 177423600) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide
PubChem CID177423600
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide
SMILESC/C(=N/N=C/c1ccccc1)NC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-13(21-18-12-14-8-4-2-5-9-14)19-17(23)20-16(22)15-10-6-3-7-11-15/h2-12H,1H3,(H2,19,20,21,22,23)/b18-12+
InChIKeyLLEAMVOGFRQOER-LDADJPATSA-N
XLogP2.58
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
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)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide
CID 54606152
N-(benzylideneamino)oxybenzamide
CID 54442905
N-(ethylcarbamoyl)benzamide
CID 23273840
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
4-[(benzhydrylidenehydrazinylidene)methyl]benzoic acid
CID 2495897
N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
CID 6322956
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
CID 152756713
N-methylbenzamide
CID 11954
N-[(benzylideneamino)-phenylcarbamothioyl]benzamide
CID 71388235
N-[(E)-3-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 53305033

Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide?
The IUPAC name of N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide (CID 177423600) is N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide.
What is the SMILES notation for N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide?
The canonical SMILES for N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide is C/C(=N/N=C/c1ccccc1)NC(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide?
The InChIKey is LLEAMVOGFRQOER-LDADJPATSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-13(21-18-12-14-8-4-2-5-9-14)19-17(23)20-16(22)15-10-6-3-7-11-15/h2-12H,1H3,(H2,19,20,21,22,23)/b18-12+.
What are the key properties of N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide?
N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide is sourced from PubChem (CID 177423600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).