(2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide

C18H19Cl2N3O2 — CID 999687

IUPAC(2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide
SMILESCC[C@H](Nc1ccccc1OC)C(=O)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O2/c1-3-15(22-16-6-4-5-7-17(16)25-2)18(24)23-21-11-12-8-9-13(19)10-14(12)20/h4-11,15,22H,3H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyPEUSRFFWQQLFAN-HNNXBMFYSA-N
MW380.28 g/mol
LogP4.34
Rot. Bonds7

About (2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide

(2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide (PubChem CID 999687) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is (2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide
PubChem CID999687
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name(2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide
SMILESCC[C@H](Nc1ccccc1OC)C(=O)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O2/c1-3-15(22-16-6-4-5-7-17(16)25-2)18(24)23-21-11-12-8-9-13(19)10-14(12)20/h4-11,15,22H,3H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyPEUSRFFWQQLFAN-HNNXBMFYSA-N
XLogP4.34
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.34
H-Bond Donors ≤ 52
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

N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334540
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 4520831
N-[(2,4-dichlorophenyl)methylideneamino]-2-[[5-[(2-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 3406916
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
(2R)-2-(4-chloroanilino)-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]butanamide
CID 136670444
(2R)-2-(2,4-dimethylanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135832800
2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
CID 5212708
(2S)-N-[(2-fluorophenyl)methylideneamino]-2-(4-methoxyanilino)butanamide
CID 840598
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide
CID 3535801
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide?
The IUPAC name of (2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide (CID 999687) is (2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide.
What is the SMILES notation for (2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide?
The canonical SMILES for (2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide is CC[C@H](Nc1ccccc1OC)C(=O)NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide?
The InChIKey is PEUSRFFWQQLFAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-3-15(22-16-6-4-5-7-17(16)25-2)18(24)23-21-11-12-8-9-13(19)10-14(12)20/h4-11,15,22H,3H2,1-2H3,(H,23,24)/t15-/m0/s1.
What are the key properties of (2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide?
(2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide has a molecular weight of 380.28 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide is sourced from PubChem (CID 999687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).