3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline

C13H10ClN3O2 — CID 9076615

IUPAC3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cccc(/C=N\Nc2cccc(Cl)c2)c1
InChIInChI=1S/C13H10ClN3O2/c14-11-4-2-5-12(8-11)16-15-9-10-3-1-6-13(7-10)17(18)19/h1-9,16H/b15-9-
InChIKeyASSXOTMBJPQVRU-DHDCSXOGSA-N
MW275.70 g/mol
LogP3.69
Rot. Bonds4

About 3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline

3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline (PubChem CID 9076615) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
PubChem CID9076615
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cccc(/C=N\Nc2cccc(Cl)c2)c1
InChIInChI=1S/C13H10ClN3O2/c14-11-4-2-5-12(8-11)16-15-9-10-3-1-6-13(7-10)17(18)19/h1-9,16H/b15-9-
InChIKeyASSXOTMBJPQVRU-DHDCSXOGSA-N
XLogP3.69
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 53.69
H-Bond Donors ≤ 51
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

3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
CID 19168555
N-(3-chlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 606165
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-3-nitroaniline
CID 9077545
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-nitroaniline
CID 6174360
N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
CID 4033932
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079
2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
CID 21204190
3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
CID 5110407

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline (CID 9076615) is 3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline is O=[N+]([O-])c1cccc(/C=N\Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline?
The InChIKey is ASSXOTMBJPQVRU-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-11-4-2-5-12(8-11)16-15-9-10-3-1-6-13(7-10)17(18)19/h1-9,16H/b15-9-.
What are the key properties of 3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline?
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline has a molecular weight of 275.70 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 9076615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).