(2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide

C16H14Cl2N2O3 — CID 136909038

IUPAC(2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-15(10-5-3-2-4-6-10)16(22)20-19-9-11-7-12(17)8-13(18)14(11)21/h2-9,15,21H,1H3,(H,20,22)/b19-9-/t15-/m1/s1
InChIKeyMWMLLFWMZNUJON-HBFFOVPNSA-N
MW353.21 g/mol
LogP3.54
Rot. Bonds5

About (2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide

(2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide (PubChem CID 136909038) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is (2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
PubChem CID136909038
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name(2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-15(10-5-3-2-4-6-10)16(22)20-19-9-11-7-12(17)8-13(18)14(11)21/h2-9,15,21H,1H3,(H,20,22)/b19-9-/t15-/m1/s1
InChIKeyMWMLLFWMZNUJON-HBFFOVPNSA-N
XLogP3.54
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136757922
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
(2S)-N-[(Z)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-methoxy-2-phenylacetamide
CID 5443238
(2S)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 137077961
2-methoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 5334215
(2S)-N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 137206870
(2S)-N-[(Z)-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-methoxy-2-phenylacetamide
CID 5443236
1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-[(1R)-1-phenylethyl]thiourea
CID 136870139
2-methoxy-2-phenyl-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 2851057
(2R)-2-methoxy-2-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5414338
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304
(2S)-2-methoxy-2-phenyl-N-[(Z)-(2-propoxyphenyl)methylideneamino]acetamide
CID 7034098

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide (CID 136909038) is (2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1.
What is the InChIKey of (2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
The InChIKey is MWMLLFWMZNUJON-HBFFOVPNSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-15(10-5-3-2-4-6-10)16(22)20-19-9-11-7-12(17)8-13(18)14(11)21/h2-9,15,21H,1H3,(H,20,22)/b19-9-/t15-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
(2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide has a molecular weight of 353.21 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 136909038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).