N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide

C21H15Cl2N3O4 — CID 96881597

IUPACN-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H15Cl2N3O4/c22-17-7-4-16(20(23)11-17)13-30-19-3-1-2-14(10-19)12-24-25-21(27)15-5-8-18(9-6-15)26(28)29/h1-12H,13H2,(H,25,27)/b24-12+
InChIKeyFFEVWAKTILTMIN-WYMPLXKRSA-N
MW444.27 g/mol
LogP5.24
Rot. Bonds7

About N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide

N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide (PubChem CID 96881597) has the molecular formula C21H15Cl2N3O4 and a molecular weight of 444.27 g/mol. Its IUPAC name is N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
PubChem CID96881597
Molecular FormulaC21H15Cl2N3O4
Molecular Weight444.27 g/mol
Exact Mass443.04
IUPAC NameN-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H15Cl2N3O4/c22-17-7-4-16(20(23)11-17)13-30-19-3-1-2-14(10-19)12-24-25-21(27)15-5-8-18(9-6-15)26(28)29/h1-12H,13H2,(H,25,27)/b24-12+
InChIKeyFFEVWAKTILTMIN-WYMPLXKRSA-N
XLogP5.24
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.27
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 124541111
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 6029635
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110340733
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126321572
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94847929
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide (CID 96881597) is N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide is O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide?
The InChIKey is FFEVWAKTILTMIN-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H15Cl2N3O4/c22-17-7-4-16(20(23)11-17)13-30-19-3-1-2-14(10-19)12-24-25-21(27)15-5-8-18(9-6-15)26(28)29/h1-12H,13H2,(H,25,27)/b24-12+.
What are the key properties of N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide?
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide has a molecular weight of 444.27 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 96881597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).