3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide

C21H17ClN2O2 — CID 5211161

IUPAC3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C21H17ClN2O2/c22-19-10-5-9-18(13-19)21(25)24-23-14-17-8-4-11-20(12-17)26-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)
InChIKeyBZPPVKZFESRQTH-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.68
Rot. Bonds6

About 3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide

3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 5211161) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID5211161
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C21H17ClN2O2/c22-19-10-5-9-18(13-19)21(25)24-23-14-17-8-4-11-20(12-17)26-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)
InChIKeyBZPPVKZFESRQTH-UHFFFAOYSA-N
XLogP4.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.68
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-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 94847745
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6260250
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide (CID 5211161) is 3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is BZPPVKZFESRQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-19-10-5-9-18(13-19)21(25)24-23-14-17-8-4-11-20(12-17)26-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25).
What are the key properties of 3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 364.83 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5211161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).