4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide

C21H18N2O2 — CID 792365

IUPAC4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESNC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18N2O2/c22-21(24)18-8-10-19(11-9-18)23-14-16-6-12-20(13-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,22,24)/b23-14+
InChIKeyNYPSKVBOTLOMNX-OEAKJJBVSA-N
MW330.39 g/mol
LogP4.12
Rot. Bonds6

About 4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide

4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 792365) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID792365
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESNC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18N2O2/c22-21(24)18-8-10-19(11-9-18)23-14-16-6-12-20(13-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,22,24)/b23-14+
InChIKeyNYPSKVBOTLOMNX-OEAKJJBVSA-N
XLogP4.12
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate
CID 4504442
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126217743
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-(naphthalen-2-ylmethylideneamino)benzamide
CID 791141
2-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 561470
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126218574
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 792365) is 4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide is NC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is NYPSKVBOTLOMNX-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H18N2O2/c22-21(24)18-8-10-19(11-9-18)23-14-16-6-12-20(13-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,22,24)/b23-14+.
What are the key properties of 4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide?
4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 330.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 792365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).