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

C16H15ClN2O2 — CID 5395999

IUPAC(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-12(21-15-9-7-14(17)8-10-15)16(20)19-18-11-13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20)/b18-11-/t12-/m0/s1
InChIKeyPOTCWKXLEUUCSD-SJWFJVLYSA-N
MW302.76 g/mol
LogP3.26
Rot. Bonds5

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

(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide (PubChem CID 5395999) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
PubChem CID5395999
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-12(21-15-9-7-14(17)8-10-15)16(20)19-18-11-13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20)/b18-11-/t12-/m0/s1
InChIKeyPOTCWKXLEUUCSD-SJWFJVLYSA-N
XLogP3.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.26
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

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(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-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 5396013
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 706908
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 787801
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1239974

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide?
The IUPAC name of (2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide (CID 5395999) is (2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1.
What is the InChIKey of (2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide?
The InChIKey is POTCWKXLEUUCSD-SJWFJVLYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-12(21-15-9-7-14(17)8-10-15)16(20)19-18-11-13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20)/b18-11-/t12-/m0/s1.
What are the key properties of (2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide?
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide has a molecular weight of 302.76 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 5395999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).