(2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate

C15H10Cl2FNO3 — CID 2798261

IUPAC(2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate
SMILESO=C(NC(=O)c1ccccc1F)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2FNO3/c16-10-6-5-9(12(17)7-10)8-22-15(21)19-14(20)11-3-1-2-4-13(11)18/h1-7H,8H2,(H,19,20,21)
InChIKeyBOVHEHORTGZFRG-UHFFFAOYSA-N
MW342.15 g/mol
LogP4.20
Rot. Bonds3

About (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate

(2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate (PubChem CID 2798261) has the molecular formula C15H10Cl2FNO3 and a molecular weight of 342.15 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate
PubChem CID2798261
Molecular FormulaC15H10Cl2FNO3
Molecular Weight342.15 g/mol
Exact Mass341.00
IUPAC Name(2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate
SMILESO=C(NC(=O)c1ccccc1F)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2FNO3/c16-10-6-5-9(12(17)7-10)8-22-15(21)19-14(20)11-3-1-2-4-13(11)18/h1-7H,8H2,(H,19,20,21)
InChIKeyBOVHEHORTGZFRG-UHFFFAOYSA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate?
The IUPAC name of (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate (CID 2798261) is (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate?
The canonical SMILES for (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate is O=C(NC(=O)c1ccccc1F)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate?
The InChIKey is BOVHEHORTGZFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO3/c16-10-6-5-9(12(17)7-10)8-22-15(21)19-14(20)11-3-1-2-4-13(11)18/h1-7H,8H2,(H,19,20,21).
What are the key properties of (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate?
(2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate has a molecular weight of 342.15 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl N-(2-fluorobenzoyl)carbamate is sourced from PubChem (CID 2798261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).