N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide

C13H18ClFN2O4S — CID 113149526

IUPACN-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18ClFN2O4S/c1-21-7-3-6-17(22(2,19)20)9-13(18)16-10-4-5-12(15)11(14)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyKPELWTJGSPQXCR-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.72
Rot. Bonds8

About N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (PubChem CID 113149526) has the molecular formula C13H18ClFN2O4S and a molecular weight of 352.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
PubChem CID113149526
Molecular FormulaC13H18ClFN2O4S
Molecular Weight352.82 g/mol
Exact Mass352.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18ClFN2O4S/c1-21-7-3-6-17(22(2,19)20)9-13(18)16-10-4-5-12(15)11(14)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyKPELWTJGSPQXCR-UHFFFAOYSA-N
XLogP1.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137731
N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113159914
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554
N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149503
N-(3-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 115641285
N-(3-chloro-4-fluorophenyl)-2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]acetamide
CID 113149187
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113152949
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157653
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113149314
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (CID 113149526) is N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is COCCCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The InChIKey is KPELWTJGSPQXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O4S/c1-21-7-3-6-17(22(2,19)20)9-13(18)16-10-4-5-12(15)11(14)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide has a molecular weight of 352.82 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113149526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).