N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride

C8H3Cl4NO2 — CID 21400337

IUPACN-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride
SMILESO=C(Cl)N(C(=O)Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H3Cl4NO2/c9-5-2-1-4(3-6(5)10)13(7(11)14)8(12)15/h1-3H
InChIKeyFSOGQKBUFKBUOH-UHFFFAOYSA-N
MW286.93 g/mol
LogP4.52
Rot. Bonds1

About N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride

N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride (PubChem CID 21400337) has the molecular formula C8H3Cl4NO2 and a molecular weight of 286.93 g/mol. Its IUPAC name is N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride
PubChem CID21400337
Molecular FormulaC8H3Cl4NO2
Molecular Weight286.93 g/mol
Exact Mass284.89
IUPAC NameN-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride
SMILESO=C(Cl)N(C(=O)Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H3Cl4NO2/c9-5-2-1-4(3-6(5)10)13(7(11)14)8(12)15/h1-3H
InChIKeyFSOGQKBUFKBUOH-UHFFFAOYSA-N
XLogP4.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.93
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride 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-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride
CID 178189914
(3,4-dichlorophenyl)-(methylideneamino)carbamic acid
CID 172861068
N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide
CID 18432
methyl N-amino-N-(3,4-dichlorophenyl)carbamate
CID 12789931
N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide
CID 14796735
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470
N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide
CID 124927747
N-(3,4-dichlorophenyl)-N-(2,2,2-trichloroethyl)carbamate
CID 57354545
1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
CID 154198928
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate
CID 3999317
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113179482

Frequently Asked Questions

What is the IUPAC name of N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride?
The IUPAC name of N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride (CID 21400337) is N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride.
What is the SMILES notation for N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride?
The canonical SMILES for N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride is O=C(Cl)N(C(=O)Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride?
The InChIKey is FSOGQKBUFKBUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl4NO2/c9-5-2-1-4(3-6(5)10)13(7(11)14)8(12)15/h1-3H.
What are the key properties of N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride?
N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride has a molecular weight of 286.93 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride is sourced from PubChem (CID 21400337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).