(2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide

C16H15ClN2O4 — CID 136766937

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C16H15ClN2O4/c1-10(23-14-6-3-12(17)4-7-14)16(22)19-18-9-11-2-5-13(20)8-15(11)21/h2-10,20-21H,1H3,(H,19,22)/b18-9-/t10-/m0/s1
InChIKeyKDXTXUKYCIRJIQ-OAOMGELKSA-N
MW334.76 g/mol
LogP2.67
Rot. Bonds5

About (2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide

(2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide (PubChem CID 136766937) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
PubChem CID136766937
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C16H15ClN2O4/c1-10(23-14-6-3-12(17)4-7-14)16(22)19-18-9-11-2-5-13(20)8-15(11)21/h2-10,20-21H,1H3,(H,19,22)/b18-9-/t10-/m0/s1
InChIKeyKDXTXUKYCIRJIQ-OAOMGELKSA-N
XLogP2.67
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 136766938
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 19208277
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1239974
(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
(2S)-2-(2,4-dichlorophenoxy)-N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]propanamide
CID 135887546
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 135685222
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 5396013

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide (CID 136766937) is (2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(O)cc1O.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
The InChIKey is KDXTXUKYCIRJIQ-OAOMGELKSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10(23-14-6-3-12(17)4-7-14)16(22)19-18-9-11-2-5-13(20)8-15(11)21/h2-10,20-21H,1H3,(H,19,22)/b18-9-/t10-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide has a molecular weight of 334.76 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 136766937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).