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

C17H17ClN2O3 — CID 689244

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-12(23-16-9-5-14(18)6-10-16)17(21)20-19-11-13-3-7-15(22-2)8-4-13/h3-12H,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyIVKAFXBDULZGOE-LBPRGKRZSA-N
MW332.79 g/mol
LogP3.27
Rot. Bonds6

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

(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide (PubChem CID 689244) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
PubChem CID689244
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-12(23-16-9-5-14(18)6-10-16)17(21)20-19-11-13-3-7-15(22-2)8-4-13/h3-12H,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyIVKAFXBDULZGOE-LBPRGKRZSA-N
XLogP3.27
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.27
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'}

Analyze (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293
(2S)-2-(3-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 26972495
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 5396013
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 706908
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
(2S)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 175678405

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide (CID 689244) is (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide is COc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is IVKAFXBDULZGOE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-12(23-16-9-5-14(18)6-10-16)17(21)20-19-11-13-3-7-15(22-2)8-4-13/h3-12H,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 332.79 g/mol, XLogP of 3.27, 6 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-[(4-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 689244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).