(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide

C17H17ClN2O2 — CID 727867

IUPAC(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-4-3-5-16(10-12)22-13(2)17(21)20-19-11-14-6-8-15(18)9-7-14/h3-11,13H,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyGOJYRGTXBLLQHS-ZDUSSCGKSA-N
MW316.79 g/mol
LogP3.57
Rot. Bonds5

About (2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide

(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide (PubChem CID 727867) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
PubChem CID727867
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-4-3-5-16(10-12)22-13(2)17(21)20-19-11-14-6-8-15(18)9-7-14/h3-11,13H,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyGOJYRGTXBLLQHS-ZDUSSCGKSA-N
XLogP3.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.57
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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 135886344
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 5397085
(2R)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-nitrophenoxy)propanamide
CID 92644710
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
(2S)-2-(3-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 26972495
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 689244
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
methyl 4-[(Z)-[[(2S)-2-(3-chlorophenoxy)propanoyl]hydrazinylidene]methyl]benzoate
CID 40542975
methyl 4-[[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]benzoate
CID 3636743

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide (CID 727867) is (2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(Cl)cc2)c1.
What is the InChIKey of (2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The InChIKey is GOJYRGTXBLLQHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-4-3-5-16(10-12)22-13(2)17(21)20-19-11-14-6-8-15(18)9-7-14/h3-11,13H,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide has a molecular weight of 316.79 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 727867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).