(E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine

C15H12Cl3N3O2 — CID 70282688

IUPAC(E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine
SMILESO=[N+]([O-])/C=C(\NCc1cccc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H12Cl3N3O2/c16-11-3-1-2-10(4-11)8-19-15(9-21(22)23)20-14-6-12(17)5-13(18)7-14/h1-7,9,19-20H,8H2/b15-9+
InChIKeyVCGAJSZVUQLFFD-OQLLNIDSSA-N
MW372.64 g/mol
LogP4.92
Rot. Bonds6

About (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine

(E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine (PubChem CID 70282688) has the molecular formula C15H12Cl3N3O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine
PubChem CID70282688
Molecular FormulaC15H12Cl3N3O2
Molecular Weight372.64 g/mol
Exact Mass371.00
IUPAC Name(E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine
SMILESO=[N+]([O-])/C=C(\NCc1cccc(Cl)c1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H12Cl3N3O2/c16-11-3-1-2-10(4-11)8-19-15(9-21(22)23)20-14-6-12(17)5-13(18)7-14/h1-7,9,19-20H,8H2/b15-9+
InChIKeyVCGAJSZVUQLFFD-OQLLNIDSSA-N
XLogP4.92
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine 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

1-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 78786561
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
3-chloro-N-[(Z)-3-(6-chloro-3-pyridinyl)-1-nitroprop-1-en-2-yl]aniline;ethane
CID 142918985
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N-[(3-chlorophenyl)methyl]-4-(2-hydroxyethylamino)-3-nitrobenzamide
CID 9323987
2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
CID 110304605
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
N-[(3-chlorophenyl)methyl]-3-methyloxirane-2-carboxamide
CID 134349407

Frequently Asked Questions

What is the IUPAC name of (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine?
The IUPAC name of (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine (CID 70282688) is (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine.
What is the SMILES notation for (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine?
The canonical SMILES for (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine is O=[N+]([O-])/C=C(\NCc1cccc(Cl)c1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine?
The InChIKey is VCGAJSZVUQLFFD-OQLLNIDSSA-N. The full InChI is InChI=1S/C15H12Cl3N3O2/c16-11-3-1-2-10(4-11)8-19-15(9-21(22)23)20-14-6-12(17)5-13(18)7-14/h1-7,9,19-20H,8H2/b15-9+.
What are the key properties of (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine?
(E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine has a molecular weight of 372.64 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-[(3-chlorophenyl)methyl]-1-N'-(3,5-dichlorophenyl)-2-nitroethene-1,1-diamine is sourced from PubChem (CID 70282688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).