N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide

C18H19ClFNO3S — CID 20968376

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C18H19ClFNO3S/c1-13-4-2-3-5-15(13)12-25(23,24)9-8-18(22)21-11-14-6-7-16(20)10-17(14)19/h2-7,10H,8-9,11-12H2,1H3,(H,21,22)
InChIKeyWWEUHUSGVMDCMZ-UHFFFAOYSA-N
MW383.87 g/mol
LogP3.41
Rot. Bonds7

About N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide

N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide (PubChem CID 20968376) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
PubChem CID20968376
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C18H19ClFNO3S/c1-13-4-2-3-5-15(13)12-25(23,24)9-8-18(22)21-11-14-6-7-16(20)10-17(14)19/h2-7,10H,8-9,11-12H2,1H3,(H,21,22)
InChIKeyWWEUHUSGVMDCMZ-UHFFFAOYSA-N
XLogP3.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide 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 N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide (CID 20968376) is N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide is Cc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is WWEUHUSGVMDCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c1-13-4-2-3-5-15(13)12-25(23,24)9-8-18(22)21-11-14-6-7-16(20)10-17(14)19/h2-7,10H,8-9,11-12H2,1H3,(H,21,22).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 383.87 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 20968376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).