2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide

C18H20ClFN2O3S — CID 113066850

IUPAC2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
SMILESCC(c1ccccc1)N(CCNC(=O)c1c(F)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H20ClFN2O3S/c1-13(14-7-4-3-5-8-14)22(26(2,24)25)12-11-21-18(23)17-15(19)9-6-10-16(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyBKXZAOKTPRXYRB-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.23
Rot. Bonds7

About 2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide

2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide (PubChem CID 113066850) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
PubChem CID113066850
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
SMILESCC(c1ccccc1)N(CCNC(=O)c1c(F)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H20ClFN2O3S/c1-13(14-7-4-3-5-8-14)22(26(2,24)25)12-11-21-18(23)17-15(19)9-6-10-16(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyBKXZAOKTPRXYRB-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066828
2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068562
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide
CID 113066857
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843
2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide
CID 97086616
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113066849
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide (CID 113066850) is 2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide is CC(c1ccccc1)N(CCNC(=O)c1c(F)cccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide?
The InChIKey is BKXZAOKTPRXYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-13(14-7-4-3-5-8-14)22(26(2,24)25)12-11-21-18(23)17-15(19)9-6-10-16(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide?
2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide has a molecular weight of 398.89 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide is sourced from PubChem (CID 113066850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).