(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine

C15H12Cl2N2O3 — CID 9355492

IUPAC(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
SMILESC[C@@H](O/N=C\c1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O3/c1-10(11-4-2-6-13(8-11)19(20)21)22-18-9-12-5-3-7-14(16)15(12)17/h2-10H,1H3/b18-9-/t10-/m1/s1
InChIKeyXUMGWSWDPCCBRQ-PQQLAPNWSA-N
MW339.18 g/mol
LogP5.01
Rot. Bonds5

About (Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine

(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine (PubChem CID 9355492) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is (Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
PubChem CID9355492
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
SMILESC[C@@H](O/N=C\c1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O3/c1-10(11-4-2-6-13(8-11)19(20)21)22-18-9-12-5-3-7-14(16)15(12)17/h2-10H,1H3/b18-9-/t10-/m1/s1
InChIKeyXUMGWSWDPCCBRQ-PQQLAPNWSA-N
XLogP5.01
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.18
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9354560
(Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9354689
1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine
CID 794832
1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 4266923
(Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9355033
trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane
CID 10636842
1-(3-nitrophenyl)ethyl sulfite
CID 174614635
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
CID 6132068
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
1-methoxy-4-nitro-2-[(1S)-1-(3-nitrophenyl)ethoxy]benzene
CID 9356044
molecular hydrogen;1-nitro-3-propan-2-ylbenzene
CID 167689608
1-(1-fluoroethyl)-3-nitrobenzene
CID 139245530

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
The IUPAC name of (Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine (CID 9355492) is (Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine.
What is the SMILES notation for (Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
The canonical SMILES for (Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine is C[C@@H](O/N=C\c1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
The InChIKey is XUMGWSWDPCCBRQ-PQQLAPNWSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-10(11-4-2-6-13(8-11)19(20)21)22-18-9-12-5-3-7-14(16)15(12)17/h2-10H,1H3/b18-9-/t10-/m1/s1.
What are the key properties of (Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine has a molecular weight of 339.18 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine is sourced from PubChem (CID 9355492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).