4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide

C23H22ClN3O2 — CID 11711221

IUPAC4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide
SMILESCCc1ccc(CCOc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)nc1
InChIInChI=1S/C23H22ClN3O2/c1-2-17-3-10-21(25-15-17)13-14-29-22-11-4-18(5-12-22)16-26-27-23(28)19-6-8-20(24)9-7-19/h3-12,15-16H,2,13-14H2,1H3,(H,27,28)/b26-16+
InChIKeyLLRNXSYEYPRVKU-WGOQTCKBSA-N
MW407.90 g/mol
LogP4.68
Rot. Bonds8

About 4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide

4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide (PubChem CID 11711221) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide
PubChem CID11711221
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide
SMILESCCc1ccc(CCOc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)nc1
InChIInChI=1S/C23H22ClN3O2/c1-2-17-3-10-21(25-15-17)13-14-29-22-11-4-18(5-12-22)16-26-27-23(28)19-6-8-20(24)9-7-19/h3-12,15-16H,2,13-14H2,1H3,(H,27,28)/b26-16+
InChIKeyLLRNXSYEYPRVKU-WGOQTCKBSA-N
XLogP4.68
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid
CID 87789776
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318
[4-[(Z)-[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 6272067
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
CID 3735265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide (CID 11711221) is 4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide is CCc1ccc(CCOc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)nc1.
What is the InChIKey of 4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide?
The InChIKey is LLRNXSYEYPRVKU-WGOQTCKBSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-2-17-3-10-21(25-15-17)13-14-29-22-11-4-18(5-12-22)16-26-27-23(28)19-6-8-20(24)9-7-19/h3-12,15-16H,2,13-14H2,1H3,(H,27,28)/b26-16+.
What are the key properties of 4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide?
4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide has a molecular weight of 407.90 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 11711221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).