3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide

C19H12Cl2N4O4 — CID 3123654

IUPAC3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl2N4O4/c20-16-7-3-13(9-17(16)21)19(26)24-23-10-12-1-5-15(6-2-12)29-18-8-4-14(11-22-18)25(27)28/h1-11H,(H,24,26)
InChIKeyGYPYISYCYSJZJO-UHFFFAOYSA-N
MW431.24 g/mol
LogP4.85
Rot. Bonds6

About 3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide

3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide (PubChem CID 3123654) has the molecular formula C19H12Cl2N4O4 and a molecular weight of 431.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide
PubChem CID3123654
Molecular FormulaC19H12Cl2N4O4
Molecular Weight431.24 g/mol
Exact Mass430.02
IUPAC Name3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl2N4O4/c20-16-7-3-13(9-17(16)21)19(26)24-23-10-12-1-5-15(6-2-12)29-18-8-4-14(11-22-18)25(27)28/h1-11H,(H,24,26)
InChIKeyGYPYISYCYSJZJO-UHFFFAOYSA-N
XLogP4.85
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.24
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide
CID 7341048
4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 7329141
N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 124544835
2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide
CID 1224245
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 4534000
3,4-dichloro-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846692
4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 71537756
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506655
[4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate
CID 3837309
4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
CID 5416780

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide (CID 3123654) is 3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide is O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide?
The InChIKey is GYPYISYCYSJZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O4/c20-16-7-3-13(9-17(16)21)19(26)24-23-10-12-1-5-15(6-2-12)29-18-8-4-14(11-22-18)25(27)28/h1-11H,(H,24,26).
What are the key properties of 3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide?
3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide has a molecular weight of 431.24 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 3123654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).