(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide

C21H18Cl2N2O2 — CID 7114974

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide
SMILESC/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C21H18Cl2N2O2/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)24-25-21(26)14(2)27-20-10-9-18(22)12-19(20)23/h3-12,14H,1-2H3,(H,25,26)/b24-13-/t14-/m0/s1
InChIKeyKDVRLZNPYJJPBR-ARCFYCQJSA-N
MW401.29 g/mol
LogP5.45
Rot. Bonds5

About (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide (PubChem CID 7114974) has the molecular formula C21H18Cl2N2O2 and a molecular weight of 401.29 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide
PubChem CID7114974
Molecular FormulaC21H18Cl2N2O2
Molecular Weight401.29 g/mol
Exact Mass400.07
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide
SMILESC/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C21H18Cl2N2O2/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)24-25-21(26)14(2)27-20-10-9-18(22)12-19(20)23/h3-12,14H,1-2H3,(H,25,26)/b24-13-/t14-/m0/s1
InChIKeyKDVRLZNPYJJPBR-ARCFYCQJSA-N
XLogP5.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 55.45
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

(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide
CID 6265635
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
2-(4-chloro-2-methylphenoxy)-N-[1-(2-chlorophenyl)ethylideneamino]propanamide
CID 3390414
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3534165
N-[1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4527145
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3405281
2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide
CID 6258918
(2S)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538015
(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538013
ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate
CID 3329057
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide (CID 7114974) is (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide is C/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide?
The InChIKey is KDVRLZNPYJJPBR-ARCFYCQJSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)24-25-21(26)14(2)27-20-10-9-18(22)12-19(20)23/h3-12,14H,1-2H3,(H,25,26)/b24-13-/t14-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide has a molecular weight of 401.29 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide is sourced from PubChem (CID 7114974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).