4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide

C24H23ClN2O3 — CID 110339008

IUPAC4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCCc1ccccc1
InChIInChI=1S/C24H23ClN2O3/c1-2-29-23-16-19(17-26-27-24(28)20-9-11-21(25)12-10-20)8-13-22(23)30-15-14-18-6-4-3-5-7-18/h3-13,16-17H,2,14-15H2,1H3,(H,27,28)/b26-17+
InChIKeyCSENGIYNAPZDAU-YZSQISJMSA-N
MW422.91 g/mol
LogP5.12
Rot. Bonds9

About 4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide

4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide (PubChem CID 110339008) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide
PubChem CID110339008
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCCc1ccccc1
InChIInChI=1S/C24H23ClN2O3/c1-2-29-23-16-19(17-26-27-24(28)20-9-11-21(25)12-10-20)8-13-22(23)30-15-14-18-6-4-3-5-7-18/h3-13,16-17H,2,14-15H2,1H3,(H,27,28)/b26-17+
InChIKeyCSENGIYNAPZDAU-YZSQISJMSA-N
XLogP5.12
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.12
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-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 110340066
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126322826
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126308626
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327983
4-butoxy-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 45054795
[4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 124540117
4-(benzylsulfanylmethyl)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 124544518
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 9359209
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94829935
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3856625
N-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126327226

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide (CID 110339008) is 4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide is CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCCc1ccccc1.
What is the InChIKey of 4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is CSENGIYNAPZDAU-YZSQISJMSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-2-29-23-16-19(17-26-27-24(28)20-9-11-21(25)12-10-20)8-13-22(23)30-15-14-18-6-4-3-5-7-18/h3-13,16-17H,2,14-15H2,1H3,(H,27,28)/b26-17+.
What are the key properties of 4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide?
4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 422.91 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[3-ethoxy-4-(2-phenylethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 110339008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).