2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide

C22H18ClN3O4 — CID 19657462

IUPAC2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2OCc2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C22H18ClN3O4/c1-15-10-11-16(12-20(15)26(28)29)13-24-25-22(27)18-7-3-5-9-21(18)30-14-17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,25,27)/b24-13-
InChIKeyKYAPSXCMESPLQF-CFRMEGHHSA-N
MW423.86 g/mol
LogP4.90
Rot. Bonds7

About 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide

2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 19657462) has the molecular formula C22H18ClN3O4 and a molecular weight of 423.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
PubChem CID19657462
Molecular FormulaC22H18ClN3O4
Molecular Weight423.86 g/mol
Exact Mass423.10
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2OCc2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C22H18ClN3O4/c1-15-10-11-16(12-20(15)26(28)29)13-24-25-22(27)18-7-3-5-9-21(18)30-14-17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,25,27)/b24-13-
InChIKeyKYAPSXCMESPLQF-CFRMEGHHSA-N
XLogP4.90
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide
CID 4931391
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 135833062
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide
CID 19657702
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657832
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 19657270
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657769
N-[(E)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 6872852
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657392
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide (CID 19657462) is 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2ccccc2OCc2ccccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is KYAPSXCMESPLQF-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H18ClN3O4/c1-15-10-11-16(12-20(15)26(28)29)13-24-25-22(27)18-7-3-5-9-21(18)30-14-17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,25,27)/b24-13-.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide?
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 423.86 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 19657462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).