N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide

C13H18ClFN2O3S — CID 71929526

IUPACN-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide
SMILESCC(C)(NS(C)(=O)=O)C(=O)NCCc1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O3S/c1-13(2,17-21(3,19)20)12(18)16-7-6-9-4-5-10(15)8-11(9)14/h4-5,8,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyLPQHHCSDWKIERR-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.47
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide

N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide (PubChem CID 71929526) has the molecular formula C13H18ClFN2O3S and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide
PubChem CID71929526
Molecular FormulaC13H18ClFN2O3S
Molecular Weight336.82 g/mol
Exact Mass336.07
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide
SMILESCC(C)(NS(C)(=O)=O)C(=O)NCCc1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O3S/c1-13(2,17-21(3,19)20)12(18)16-7-6-9-4-5-10(15)8-11(9)14/h4-5,8,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyLPQHHCSDWKIERR-UHFFFAOYSA-N
XLogP1.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95625878
trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95625877
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 56789792
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 71919055
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 115626035
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211872
1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111578068
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81484637
(2S,4S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128983915
1-(2-chloro-4-fluorophenyl)-4-methylpentan-3-one
CID 43175852
(2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide
CID 71874235
N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103731937

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide (CID 71929526) is N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide is CC(C)(NS(C)(=O)=O)C(=O)NCCc1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide?
The InChIKey is LPQHHCSDWKIERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O3S/c1-13(2,17-21(3,19)20)12(18)16-7-6-9-4-5-10(15)8-11(9)14/h4-5,8,17H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide?
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide has a molecular weight of 336.82 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide is sourced from PubChem (CID 71929526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).