N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline

C14H12ClN3O2 — CID 9014699

IUPACN-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
SMILESCc1ccccc1N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O2/c1-10-4-2-3-5-13(10)17-16-9-11-6-7-12(15)14(8-11)18(19)20/h2-9,17H,1H3/b16-9-
InChIKeyFYZTUXNMANEUIZ-SXGWCWSVSA-N
MW289.72 g/mol
LogP4.00
Rot. Bonds4

About N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline

N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline (PubChem CID 9014699) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
PubChem CID9014699
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
SMILESCc1ccccc1N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O2/c1-10-4-2-3-5-13(10)17-16-9-11-6-7-12(15)14(8-11)18(19)20/h2-9,17H,1H3/b16-9-
InChIKeyFYZTUXNMANEUIZ-SXGWCWSVSA-N
XLogP4.00
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 54.00
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

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
N'-[(4-chloro-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3896969
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methylaniline
CID 18269387
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine
CID 44715031
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
1-[(4-methyl-3-nitrophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926783
3-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596969
methyl N-[(4-chloro-3-nitrophenyl)methylideneamino]carbamate
CID 909430
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
CID 136704830
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524931

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline?
The IUPAC name of N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline (CID 9014699) is N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline.
What is the SMILES notation for N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline?
The canonical SMILES for N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline is Cc1ccccc1N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline?
The InChIKey is FYZTUXNMANEUIZ-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-10-4-2-3-5-13(10)17-16-9-11-6-7-12(15)14(8-11)18(19)20/h2-9,17H,1H3/b16-9-.
What are the key properties of N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline?
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline has a molecular weight of 289.72 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline is sourced from PubChem (CID 9014699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).