N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide

C17H16N2O2 — CID 4154516

IUPACN-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide
SMILESCc1cccc(C(=O)CC=NNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c1-13-6-5-9-15(12-13)16(20)10-11-18-19-17(21)14-7-3-2-4-8-14/h2-9,11-12H,10H2,1H3,(H,19,21)
InChIKeyXMCVMEOSJYIZRL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.98
Rot. Bonds5

About N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide

N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide (PubChem CID 4154516) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide
PubChem CID4154516
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide
SMILESCc1cccc(C(=O)CC=NNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c1-13-6-5-9-15(12-13)16(20)10-11-18-19-17(21)14-7-3-2-4-8-14/h2-9,11-12H,10H2,1H3,(H,19,21)
InChIKeyXMCVMEOSJYIZRL-UHFFFAOYSA-N
XLogP2.98
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-Phenylmethylidene]benzohydrazide
CID 9561277
N'-benzylidene-1-naphthohydrazide
CID 9563333
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244
n'-(4-Methylbenzylidene)benzohydrazide
CID 9562978
3-Methyl-benzoic acid N'-(3-oxo-3-phenyl-propenyl)-hydrazide
CID 2244706
2-bromo-N-[(E)-phenacylideneamino]benzamide
CID 6901639
2-fluoro-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 6902270
N'-[(1E)-butylidene]-4-fluorobenzohydrazide
CID 9631287
3-fluoro-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 9656046
4-methyl-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 9602691
N-(benzylideneamino)benzamide
CID 238530
3-methyl-N'-(1-phenylbutylidene)benzohydrazide
CID 5879645

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide?
The IUPAC name of N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide (CID 4154516) is N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide.
What is the SMILES notation for N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide?
The canonical SMILES for N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide is Cc1cccc(C(=O)CC=NNC(=O)c2ccccc2)c1.
What is the InChIKey of N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide?
The InChIKey is XMCVMEOSJYIZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-6-5-9-15(12-13)16(20)10-11-18-19-17(21)14-7-3-2-4-8-14/h2-9,11-12H,10H2,1H3,(H,19,21).
What are the key properties of N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide?
N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenyl)-3-oxopropylidene]amino]benzamide is sourced from PubChem (CID 4154516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).