N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline

C13H10ClN3O2 — CID 13399292

IUPACN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cc(/C=N/Nc2ccccc2)ccc1Cl
InChIInChI=1S/C13H10ClN3O2/c14-12-7-6-10(8-13(12)17(18)19)9-15-16-11-4-2-1-3-5-11/h1-9,16H/b15-9+
InChIKeyYUDOTZQIKYPLFY-OQLLNIDSSA-N
MW275.70 g/mol
LogP3.69
Rot. Bonds4

About N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline (PubChem CID 13399292) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
PubChem CID13399292
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cc(/C=N/Nc2ccccc2)ccc1Cl
InChIInChI=1S/C13H10ClN3O2/c14-12-7-6-10(8-13(12)17(18)19)9-15-16-11-4-2-1-3-5-11/h1-9,16H/b15-9+
InChIKeyYUDOTZQIKYPLFY-OQLLNIDSSA-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-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
3-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596969
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
CID 9014699
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine
CID 44715031
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methylaniline
CID 18269387
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
CID 679045
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 6178813
(E)-N-[(4-chloro-3-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 19165148
1-benzyl-3-[(4-chloro-3-nitrophenyl)methylideneamino]thiourea
CID 3295851
N-benzyl-N'-[(4-chloro-3-nitrophenyl)methylideneamino]butanediamide
CID 3282009
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline (CID 13399292) is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline is O=[N+]([O-])c1cc(/C=N/Nc2ccccc2)ccc1Cl.
What is the InChIKey of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline?
The InChIKey is YUDOTZQIKYPLFY-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-12-7-6-10(8-13(12)17(18)19)9-15-16-11-4-2-1-3-5-11/h1-9,16H/b15-9+.
What are the key properties of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline?
N-[(E)-(4-chloro-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 N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 13399292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).