2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline

C13H10ClN3O2 — CID 68571224

IUPAC2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline
SMILESC=NN(c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl
InChIInChI=1S/C13H10ClN3O2/c1-15-16(13-5-3-2-4-12(13)14)10-6-8-11(9-7-10)17(18)19/h2-9H,1H2
InChIKeyFVGDNELSJMAEBJ-UHFFFAOYSA-N
MW275.70 g/mol
LogP4.00
Rot. Bonds4

About 2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline

2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline (PubChem CID 68571224) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline
PubChem CID68571224
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline
SMILESC=NN(c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl
InChIInChI=1S/C13H10ClN3O2/c1-15-16(13-5-3-2-4-12(13)14)10-6-8-11(9-7-10)17(18)19/h2-9H,1H2
InChIKeyFVGDNELSJMAEBJ-UHFFFAOYSA-N
XLogP4.00
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 54.00
H-Bond Donors ≤ 50
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

2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline
CID 68571220
N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline
CID 87563783
N-methyl-4-nitro-N-phenylaniline
CID 11287619
2-chloro-1-(4-nitrophenyl)-1-phenylhydrazine
CID 88837156
N,N-dichloro-4-nitroaniline;molecular nitrogen
CID 174775109
N-(2-chloro-4-nitrophenyl)methanimine
CID 142216814
CID 70381437
CID 70381437
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
formyl chloride;nitrobenzene;hydrate
CID 158709717
N-(2-chlorophenyl)-N-methoxynitramide
CID 90776138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline?
The IUPAC name of 2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline (CID 68571224) is 2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline.
What is the SMILES notation for 2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline?
The canonical SMILES for 2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline is C=NN(c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline?
The InChIKey is FVGDNELSJMAEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c1-15-16(13-5-3-2-4-12(13)14)10-6-8-11(9-7-10)17(18)19/h2-9H,1H2.
What are the key properties of 2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline?
2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline has a molecular weight of 275.70 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline is sourced from PubChem (CID 68571224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).