(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide

C20H17ClN2O2 — CID 1239974

IUPAC(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1cccc2ccccc12
InChIInChI=1S/C20H17ClN2O2/c1-14(25-18-11-9-17(21)10-12-18)20(24)23-22-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-14H,1H3,(H,23,24)/t14-/m0/s1
InChIKeyPTPLMWLHDLNURB-AWEZNQCLSA-N
MW352.82 g/mol
LogP4.41
Rot. Bonds5

About (2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide

(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide (PubChem CID 1239974) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
PubChem CID1239974
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1cccc2ccccc12
InChIInChI=1S/C20H17ClN2O2/c1-14(25-18-11-9-17(21)10-12-18)20(24)23-22-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-14H,1H3,(H,23,24)/t14-/m0/s1
InChIKeyPTPLMWLHDLNURB-AWEZNQCLSA-N
XLogP4.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.41
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

(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 135685222
[2-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 45055338
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135752432
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 689244
2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide
CID 11835557
2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 5046667

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide (CID 1239974) is (2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1cccc2ccccc12.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide?
The InChIKey is PTPLMWLHDLNURB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-14(25-18-11-9-17(21)10-12-18)20(24)23-22-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-14H,1H3,(H,23,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide?
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide has a molecular weight of 352.82 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide is sourced from PubChem (CID 1239974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).