2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide

C23H20Cl2N2O3 — CID 3295271

IUPAC2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-16(30-22-12-9-19(24)13-21(22)25)23(28)27-26-14-17-7-10-20(11-8-17)29-15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,27,28)
InChIKeyGXFGOXWQJOYLFJ-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.49
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide

2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide (PubChem CID 3295271) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
PubChem CID3295271
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-16(30-22-12-9-19(24)13-21(22)25)23(28)27-26-14-17-7-10-20(11-8-17)29-15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,27,28)
InChIKeyGXFGOXWQJOYLFJ-UHFFFAOYSA-N
XLogP5.49
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.49
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

(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
(2R)-2-[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylpentanamide
CID 126026297
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
[4-[[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3481397
2-benzylsulfanyl-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3110500
[1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 4691929
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
CID 4048506
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
CID 7275620
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 25301252
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4193307
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(2,4-dichlorophenoxy)propanamide
CID 5097247
(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7185213

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide (CID 3295271) is 2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide?
The InChIKey is GXFGOXWQJOYLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-16(30-22-12-9-19(24)13-21(22)25)23(28)27-26-14-17-7-10-20(11-8-17)29-15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,27,28).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide?
2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide has a molecular weight of 443.33 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 3295271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).