4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

C22H19ClN2O2 — CID 110338654

IUPAC4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccccc1COc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O2/c1-16-6-2-3-8-19(16)15-27-21-9-5-4-7-18(21)14-24-25-22(26)17-10-12-20(23)13-11-17/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyJUBSZSGDJSTAPQ-ZVHZXABRSA-N
MW378.86 g/mol
LogP4.99
Rot. Bonds6

About 4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 110338654) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID110338654
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccccc1COc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O2/c1-16-6-2-3-8-19(16)15-27-21-9-5-4-7-18(21)14-24-25-22(26)17-10-12-20(23)13-11-17/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyJUBSZSGDJSTAPQ-ZVHZXABRSA-N
XLogP4.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.99
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-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840677
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6051853
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393
2-hydroxy-2-methyl-N-[(Z)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]propanamide
CID 39818823
methyl 4-[[2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 51060766
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 6163914
4-chloro-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21379718
4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 124508573
4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94831763
1-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3568112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (CID 110338654) is 4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is JUBSZSGDJSTAPQ-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-16-6-2-3-8-19(16)15-27-21-9-5-4-7-18(21)14-24-25-22(26)17-10-12-20(23)13-11-17/h2-14H,15H2,1H3,(H,25,26)/b24-14+.
What are the key properties of 4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 378.86 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 110338654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).