[(2,4-dichlorophenyl)methylideneamino]carbamic acid

C8H6Cl2N2O2 — CID 70469242

IUPAC[(2,4-dichlorophenyl)methylideneamino]carbamic acid
SMILESO=C(O)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2N2O2/c9-6-2-1-5(7(10)3-6)4-11-12-8(13)14/h1-4,12H,(H,13,14)
InChIKeyMUQCVSRFTHZASX-UHFFFAOYSA-N
MW233.05 g/mol
LogP2.59
Rot. Bonds2

About [(2,4-dichlorophenyl)methylideneamino]carbamic acid

[(2,4-dichlorophenyl)methylideneamino]carbamic acid (PubChem CID 70469242) has the molecular formula C8H6Cl2N2O2 and a molecular weight of 233.05 g/mol. Its IUPAC name is [(2,4-dichlorophenyl)methylideneamino]carbamic acid.

Molecular Properties

Compound Name[(2,4-dichlorophenyl)methylideneamino]carbamic acid
PubChem CID70469242
Molecular FormulaC8H6Cl2N2O2
Molecular Weight233.05 g/mol
Exact Mass231.98
IUPAC Name[(2,4-dichlorophenyl)methylideneamino]carbamic acid
SMILESO=C(O)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2N2O2/c9-6-2-1-5(7(10)3-6)4-11-12-8(13)14/h1-4,12H,(H,13,14)
InChIKeyMUQCVSRFTHZASX-UHFFFAOYSA-N
XLogP2.59
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2,4-dichlorophenyl)methylideneamino]carbamic acid 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-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
1,2-bis[(2,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 140813801
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
N-cyclopropyl-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 6150186
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide
CID 6871449
acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide
CID 20849549

Frequently Asked Questions

What is the IUPAC name of [(2,4-dichlorophenyl)methylideneamino]carbamic acid?
The IUPAC name of [(2,4-dichlorophenyl)methylideneamino]carbamic acid (CID 70469242) is [(2,4-dichlorophenyl)methylideneamino]carbamic acid.
What is the SMILES notation for [(2,4-dichlorophenyl)methylideneamino]carbamic acid?
The canonical SMILES for [(2,4-dichlorophenyl)methylideneamino]carbamic acid is O=C(O)NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2,4-dichlorophenyl)methylideneamino]carbamic acid?
The InChIKey is MUQCVSRFTHZASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O2/c9-6-2-1-5(7(10)3-6)4-11-12-8(13)14/h1-4,12H,(H,13,14).
What are the key properties of [(2,4-dichlorophenyl)methylideneamino]carbamic acid?
[(2,4-dichlorophenyl)methylideneamino]carbamic acid has a molecular weight of 233.05 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dichlorophenyl)methylideneamino]carbamic acid is sourced from PubChem (CID 70469242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).