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

C17H18ClFN2O3S — CID 11303670

IUPACN-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-11(17(22)20-10-12-3-6-14(18)7-4-12)13-5-8-16(15(19)9-13)21-25(2,23)24/h3-9,11,21H,10H2,1-2H3,(H,20,22)
InChIKeyXVKVWVSICFWXTJ-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.27
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 11303670) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID11303670
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-11(17(22)20-10-12-3-6-14(18)7-4-12)13-5-8-16(15(19)9-13)21-25(2,23)24/h3-9,11,21H,10H2,1-2H3,(H,20,22)
InChIKeyXVKVWVSICFWXTJ-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.27
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
(2S)-N-[(4-tert-butylphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 44189702
N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873748
4-(tert-Butyl)-N-[2-chloro-4-(methylsulfonamido)benzyl]benzamide
CID 137631891
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pentyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 122194132
N-[1-phenyl-2-(4-methanesulfonylaminophenyl)ethyl]-alpha-phenyl-benzeneacetamide
CID 10028310
3-(4-tert-butylphenyl)-N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]propanamide
CID 11166066
N-[(4-tert-butylphenyl)methyl]-2-[2-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11188965
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (CID 11303670) is N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is CC(C(=O)NCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is XVKVWVSICFWXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-11(17(22)20-10-12-3-6-14(18)7-4-12)13-5-8-16(15(19)9-13)21-25(2,23)24/h3-9,11,21H,10H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 384.86 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 11303670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).