2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide

C21H16Cl2N2O2 — CID 6107942

IUPAC2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N2O2/c22-17-9-10-19(20(23)12-17)21(26)25-24-13-16-7-4-8-18(11-16)27-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyNUIIMPVBYJVCQV-CFRMEGHHSA-N
MW399.28 g/mol
LogP5.34
Rot. Bonds6

About 2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide

2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6107942) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6107942
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N2O2/c22-17-9-10-19(20(23)12-17)21(26)25-24-13-16-7-4-8-18(11-16)27-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyNUIIMPVBYJVCQV-CFRMEGHHSA-N
XLogP5.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.34
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

3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340424
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
CID 6046862
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657769
2-(2,5-dichlorophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3437752
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126321572
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
CID 126078187
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6107942) is 2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is NUIIMPVBYJVCQV-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-17-9-10-19(20(23)12-17)21(26)25-24-13-16-7-4-8-18(11-16)27-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,25,26)/b24-13-.
What are the key properties of 2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 399.28 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6107942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).