N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide

C17H17N3O — CID 142316941

IUPACN-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide
SMILESC=CN(N=C)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c1-3-20(18-2)16-11-9-14(10-12-16)13-19-17(21)15-7-5-4-6-8-15/h3-12H,1-2,13H2,(H,19,21)
InChIKeyPFGOLBTUMCCBBL-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.18
Rot. Bonds6

About N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide

N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide (PubChem CID 142316941) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide
PubChem CID142316941
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide
SMILESC=CN(N=C)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c1-3-20(18-2)16-11-9-14(10-12-16)13-19-17(21)15-7-5-4-6-8-15/h3-12H,1-2,13H2,(H,19,21)
InChIKeyPFGOLBTUMCCBBL-UHFFFAOYSA-N
XLogP3.18
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.18
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

4-(benzamidomethyl)benzoic acid
CID 10879683
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-[[4-(2-hydroxyethyl)phenyl]methyl]benzamide
CID 67712441
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide
CID 160639288
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
2-[4-(benzamidomethyl)phenyl]ethyl benzoate
CID 67530892
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427

Frequently Asked Questions

What is the IUPAC name of N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide (CID 142316941) is N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide is C=CN(N=C)c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide?
The InChIKey is PFGOLBTUMCCBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-20(18-2)16-11-9-14(10-12-16)13-19-17(21)15-7-5-4-6-8-15/h3-12H,1-2,13H2,(H,19,21).
What are the key properties of N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide?
N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 142316941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).