(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide

C23H21ClN2O3 — CID 6896991

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-17(29-22-13-9-20(24)10-14-22)23(27)26-25-15-18-7-11-21(12-8-18)28-16-19-5-3-2-4-6-19/h2-15,17H,16H2,1H3,(H,26,27)/b25-15+/t17-/m0/s1
InChIKeySOXSEKKHSFOSHR-STPJHCLOSA-N
MW408.89 g/mol
LogP4.84
Rot. Bonds8

About (2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide

(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide (PubChem CID 6896991) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
PubChem CID6896991
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-17(29-22-13-9-20(24)10-14-22)23(27)26-25-15-18-7-11-21(12-8-18)28-16-19-5-3-2-4-6-19/h2-15,17H,16H2,1H3,(H,26,27)/b25-15+/t17-/m0/s1
InChIKeySOXSEKKHSFOSHR-STPJHCLOSA-N
XLogP4.84
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.84
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

N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 3295271
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
CID 4048506
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
CID 7275620
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4193307
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3415013
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide (CID 6896991) is (2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide?
The InChIKey is SOXSEKKHSFOSHR-STPJHCLOSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-17(29-22-13-9-20(24)10-14-22)23(27)26-25-15-18-7-11-21(12-8-18)28-16-19-5-3-2-4-6-19/h2-15,17H,16H2,1H3,(H,26,27)/b25-15+/t17-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide has a molecular weight of 408.89 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 6896991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).