N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide

C21H16ClN3O4 — CID 6029635

IUPACN-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H16ClN3O4/c22-18-9-7-15(8-10-18)14-29-20-6-1-3-16(11-20)13-23-24-21(26)17-4-2-5-19(12-17)25(27)28/h1-13H,14H2,(H,24,26)/b23-13-
InChIKeyQNXWDIAWVBOSNL-QRVIBDJDSA-N
MW409.83 g/mol
LogP4.59
Rot. Bonds7

About N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide

N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide (PubChem CID 6029635) has the molecular formula C21H16ClN3O4 and a molecular weight of 409.83 g/mol. Its IUPAC name is N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
PubChem CID6029635
Molecular FormulaC21H16ClN3O4
Molecular Weight409.83 g/mol
Exact Mass409.08
IUPAC NameN-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H16ClN3O4/c22-18-9-7-15(8-10-18)14-29-20-6-1-3-16(11-20)13-23-24-21(26)17-4-2-5-19(12-17)25(27)28/h1-13H,14H2,(H,24,26)/b23-13-
InChIKeyQNXWDIAWVBOSNL-QRVIBDJDSA-N
XLogP4.59
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 54.59
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'}

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 3302951
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
CID 126078187
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 96881597
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 4534000
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
3-ethoxy-N-[(E)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126326150
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide (CID 6029635) is N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide is O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide?
The InChIKey is QNXWDIAWVBOSNL-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H16ClN3O4/c22-18-9-7-15(8-10-18)14-29-20-6-1-3-16(11-20)13-23-24-21(26)17-4-2-5-19(12-17)25(27)28/h1-13H,14H2,(H,24,26)/b23-13-.
What are the key properties of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide?
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide has a molecular weight of 409.83 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 6029635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).