N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

C24H21ClF4N2O3S — CID 58873748

IUPACN-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H21ClF4N2O3S/c1-14(15-7-9-22(21(26)11-15)31-35(2,33)34)23(32)30-13-17-6-8-18(24(27,28)29)12-20(17)16-4-3-5-19(25)10-16/h3-12,14,31H,13H2,1-2H3,(H,30,32)
InChIKeyQPNGHFPZYQLQIF-UHFFFAOYSA-N
MW528.96 g/mol
LogP5.96
Rot. Bonds7

About N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 58873748) has the molecular formula C24H21ClF4N2O3S and a molecular weight of 528.96 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID58873748
Molecular FormulaC24H21ClF4N2O3S
Molecular Weight528.96 g/mol
Exact Mass528.09
IUPAC NameN-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H21ClF4N2O3S/c1-14(15-7-9-22(21(26)11-15)31-35(2,33)34)23(32)30-13-17-6-8-18(24(27,28)29)12-20(17)16-4-3-5-19(25)10-16/h3-12,14,31H,13H2,1-2H3,(H,30,32)
InChIKeyQPNGHFPZYQLQIF-UHFFFAOYSA-N
XLogP5.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.96
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 16225649
N-[[2-[(2-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 122194129
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pentyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 122194132
N-[[2-cyclohexyl-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 122194133
N-[3-(3,4-dimethylphenyl)propyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11188966
N-[3,3-Di(4-fluorophenyl)-2-propenyl]-2-[3-fluoro-4-(methylsulfonylamino)phenyl]propionamide
CID 11202611
N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11247973
N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11270075
N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11270983
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]propanamide
CID 11271543
N-[3-(4-chlorophenyl)propyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11292857
N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11303670

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (CID 58873748) is N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is QPNGHFPZYQLQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF4N2O3S/c1-14(15-7-9-22(21(26)11-15)31-35(2,33)34)23(32)30-13-17-6-8-18(24(27,28)29)12-20(17)16-4-3-5-19(25)10-16/h3-12,14,31H,13H2,1-2H3,(H,30,32).
What are the key properties of N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 528.96 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 58873748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).