N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline

C10H11ClN4O4 — CID 22764781

IUPACN-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline
SMILESCC(C)(Cl)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN4O4/c1-10(2,11)6-12-13-8-4-3-7(14(16)17)5-9(8)15(18)19/h3-6,13H,1-2H3/b12-6+
InChIKeySJVTXOKPIFAWAO-WUXMJOGZSA-N
MW286.68 g/mol
LogP2.92
Rot. Bonds5

About N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline

N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline (PubChem CID 22764781) has the molecular formula C10H11ClN4O4 and a molecular weight of 286.68 g/mol. Its IUPAC name is N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline.

Molecular Properties

Compound NameN-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline
PubChem CID22764781
Molecular FormulaC10H11ClN4O4
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC NameN-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline
SMILESCC(C)(Cl)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN4O4/c1-10(2,11)6-12-13-8-4-3-7(14(16)17)5-9(8)15(18)19/h3-6,13H,1-2H3/b12-6+
InChIKeySJVTXOKPIFAWAO-WUXMJOGZSA-N
XLogP2.92
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline 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

N-[[2-methyl-2-(4-methylphenyl)propylidene]amino]-2,4-dinitroaniline
CID 165350885
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline
CID 4556942
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
N-[(4-bromophenyl)methylideneamino]-2,4-dinitroaniline
CID 632518
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline
CID 14950104
2,4-dinitro-N-[[(E)-pent-2-enylidene]amino]aniline
CID 131874424
N-[(E)-[(2S)-2-methylsulfanylpropylidene]amino]-2,4-dinitroaniline
CID 92529730
2,4-dinitro-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6282029
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
CID 6132068

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline?
The IUPAC name of N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline (CID 22764781) is N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline.
What is the SMILES notation for N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline?
The canonical SMILES for N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline is CC(C)(Cl)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline?
The InChIKey is SJVTXOKPIFAWAO-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H11ClN4O4/c1-10(2,11)6-12-13-8-4-3-7(14(16)17)5-9(8)15(18)19/h3-6,13H,1-2H3/b12-6+.
What are the key properties of N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline?
N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline has a molecular weight of 286.68 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline is sourced from PubChem (CID 22764781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).