2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline

C13H10ClN3O2 — CID 68571220

IUPAC2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline
SMILESC=NN(c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H10ClN3O2/c1-15-16(10-5-3-2-4-6-10)13-8-7-11(17(18)19)9-12(13)14/h2-9H,1H2
InChIKeyLOWBUEXVWMZLSJ-UHFFFAOYSA-N
MW275.70 g/mol
LogP4.00
Rot. Bonds4

About 2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline

2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline (PubChem CID 68571220) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline.

Molecular Properties

Compound Name2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline
PubChem CID68571220
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline
SMILESC=NN(c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H10ClN3O2/c1-15-16(10-5-3-2-4-6-10)13-8-7-11(17(18)19)9-12(13)14/h2-9H,1H2
InChIKeyLOWBUEXVWMZLSJ-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'}

Analyze 2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline
CID 68571224
N-(2-chloro-4-nitrophenyl)methanimine
CID 142216814
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
2-chloro-N-methyl-N-(2-methylprop-2-enyl)-4-nitroaniline
CID 133439166
N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine
CID 66181832
N-[(E)-(2,4-dinitrophenyl)methylideneamino]-N-phenylaniline
CID 139085698
4-nitro-1-N-(4-nitrophenyl)-1-N-phenylbenzene-1,2-diamine
CID 176657563
2-(2-chloro-N-ethyl-4-nitroanilino)acetic acid
CID 54949262
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004
N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline
CID 2850900
N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide
CID 175678990

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline?
The IUPAC name of 2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline (CID 68571220) is 2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline.
What is the SMILES notation for 2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline?
The canonical SMILES for 2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline is C=NN(c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline?
The InChIKey is LOWBUEXVWMZLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c1-15-16(10-5-3-2-4-6-10)13-8-7-11(17(18)19)9-12(13)14/h2-9H,1H2.
What are the key properties of 2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline?
2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline 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)-4-nitro-N-phenylaniline is sourced from PubChem (CID 68571220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).