(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide

C15H14ClN3O2 — CID 5396013

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccncc1
InChIInChI=1S/C15H14ClN3O2/c1-11(21-14-4-2-13(16)3-5-14)15(20)19-18-10-12-6-8-17-9-7-12/h2-11H,1H3,(H,19,20)/b18-10-/t11-/m0/s1
InChIKeyVQTDQYGVZQXHLG-TZQXVGBESA-N
MW303.75 g/mol
LogP2.65
Rot. Bonds5

About (2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide

(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide (PubChem CID 5396013) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
PubChem CID5396013
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccncc1
InChIInChI=1S/C15H14ClN3O2/c1-11(21-14-4-2-13(16)3-5-14)15(20)19-18-10-12-6-8-17-9-7-12/h2-11H,1H3,(H,19,20)/b18-10-/t11-/m0/s1
InChIKeyVQTDQYGVZQXHLG-TZQXVGBESA-N
XLogP2.65
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.65
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-(pyridin-4-ylmethylideneamino)propanamide
CID 706908
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 689244
2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 5081987
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide (CID 5396013) is (2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccncc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
The InChIKey is VQTDQYGVZQXHLG-TZQXVGBESA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-11(21-14-4-2-13(16)3-5-14)15(20)19-18-10-12-6-8-17-9-7-12/h2-11H,1H3,(H,19,20)/b18-10-/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide has a molecular weight of 303.75 g/mol, XLogP of 2.65, 5 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-[(Z)-pyridin-4-ylmethylideneamino]propanamide is sourced from PubChem (CID 5396013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).