N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide

C21H16ClN3O4 — CID 126078187

IUPACN-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H16ClN3O4/c22-17-10-8-15(9-11-17)14-29-18-5-3-4-16(12-18)13-23-24-21(26)19-6-1-2-7-20(19)25(27)28/h1-13H,14H2,(H,24,26)/b23-13-
InChIKeyQAAKFOISGCTYTP-QRVIBDJDSA-N
MW409.83 g/mol
LogP4.59
Rot. Bonds7

About N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide

N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide (PubChem CID 126078187) 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]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
PubChem CID126078187
Molecular FormulaC21H16ClN3O4
Molecular Weight409.83 g/mol
Exact Mass409.08
IUPAC NameN-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H16ClN3O4/c22-17-10-8-15(9-11-17)14-29-18-5-3-4-16(12-18)13-23-24-21(26)19-6-1-2-7-20(19)25(27)28/h1-13H,14H2,(H,24,26)/b23-13-
InChIKeyQAAKFOISGCTYTP-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-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
CID 6046862
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 6029635
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 3446462
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 4673369
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 6182256
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide (CID 126078187) is N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide is O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide?
The InChIKey is QAAKFOISGCTYTP-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H16ClN3O4/c22-17-10-8-15(9-11-17)14-29-18-5-3-4-16(12-18)13-23-24-21(26)19-6-1-2-7-20(19)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]-2-nitrobenzamide?
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-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]-2-nitrobenzamide is sourced from PubChem (CID 126078187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).