3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide

C22H19ClN2O2 — CID 126061831

IUPAC3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C22H19ClN2O2/c1-16-7-10-19(13-21(16)23)22(26)25-24-14-17-8-11-20(12-9-17)27-15-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,25,26)/b24-14-
InChIKeyYJDBKISQZRKRQG-OYKKKHCWSA-N
MW378.86 g/mol
LogP4.99
Rot. Bonds6

About 3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide

3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 126061831) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID126061831
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C22H19ClN2O2/c1-16-7-10-19(13-21(16)23)22(26)25-24-14-17-8-11-20(12-9-17)27-15-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,25,26)/b24-14-
InChIKeyYJDBKISQZRKRQG-OYKKKHCWSA-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

3-bromo-4-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5196695
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
3-chloro-4-methyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126062015
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 126061831) is 3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is Cc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is YJDBKISQZRKRQG-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-16-7-10-19(13-21(16)23)22(26)25-24-14-17-8-11-20(12-9-17)27-15-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,25,26)/b24-14-.
What are the key properties of 3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)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 3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 126061831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).