N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide

C21H16Cl2N2O2 — CID 8518234

IUPACN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
SMILESO=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H16Cl2N2O2/c22-19-7-4-8-20(23)18(19)13-24-25-21(26)16-11-9-15(10-12-16)14-27-17-5-2-1-3-6-17/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyIHNISNSNIJRXDG-CFRMEGHHSA-N
MW399.28 g/mol
LogP5.34
Rot. Bonds6

About N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide (PubChem CID 8518234) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
PubChem CID8518234
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
SMILESO=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H16Cl2N2O2/c22-19-7-4-8-20(23)18(19)13-24-25-21(26)16-11-9-15(10-12-16)14-27-17-5-2-1-3-6-17/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyIHNISNSNIJRXDG-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

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
CID 6279107
4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 3885983
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
4-[(4-tert-butylphenoxy)methyl]-N-[(10-chloroanthracen-9-yl)methylideneamino]benzamide
CID 2391842
4-[(4-bromophenyl)methoxy]-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124543069
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518126

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide (CID 8518234) is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide is O=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide?
The InChIKey is IHNISNSNIJRXDG-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-19-7-4-8-20(23)18(19)13-24-25-21(26)16-11-9-15(10-12-16)14-27-17-5-2-1-3-6-17/h1-13H,14H2,(H,25,26)/b24-13-.
What are the key properties of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide?
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)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 N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 8518234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).