2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide

C16H14Cl2N2O2 — CID 11835557

IUPAC2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c1-11(22-14-7-4-6-13(17)9-14)16(21)20-19-10-12-5-2-3-8-15(12)18/h2-11H,1H3,(H,20,21)/b19-10+
InChIKeyURFVZIXSZLMKIF-VXLYETTFSA-N
MW337.21 g/mol
LogP3.91
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide

2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide (PubChem CID 11835557) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide
PubChem CID11835557
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c1-11(22-14-7-4-6-13(17)9-14)16(21)20-19-10-12-5-2-3-8-15(12)18/h2-11H,1H3,(H,20,21)/b19-10+
InChIKeyURFVZIXSZLMKIF-VXLYETTFSA-N
XLogP3.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.91
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

(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
(2R)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(3-chlorophenoxy)propanamide
CID 28839072
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
(2S)-2-(3-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 26972495
(2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135783828
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 19208277
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide
CID 117071611
methyl 4-[[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]benzoate
CID 3636743
methyl 4-[(Z)-[[(2S)-2-(3-chlorophenoxy)propanoyl]hydrazinylidene]methyl]benzoate
CID 40542975
[4-[(E)-[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 44722050
2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide
CID 4671273
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1239974

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide (CID 11835557) is 2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide is CC(Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1Cl.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide?
The InChIKey is URFVZIXSZLMKIF-VXLYETTFSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-11(22-14-7-4-6-13(17)9-14)16(21)20-19-10-12-5-2-3-8-15(12)18/h2-11H,1H3,(H,20,21)/b19-10+.
What are the key properties of 2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide?
2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide has a molecular weight of 337.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 11835557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).