N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide

C19H22ClFN2O3S — CID 132664350

IUPACN-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)NCCCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C19H22ClFN2O3S/c1-14(23(27(2,25)26)18-12-6-5-11-17(18)21)19(24)22-13-7-9-15-8-3-4-10-16(15)20/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,22,24)
InChIKeyZBRVFRPIGXCTFN-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.38
Rot. Bonds8

About N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide

N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 132664350) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID132664350
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)NCCCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C19H22ClFN2O3S/c1-14(23(27(2,25)26)18-12-6-5-11-17(18)21)19(24)22-13-7-9-15-8-3-4-10-16(15)20/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,22,24)
InChIKeyZBRVFRPIGXCTFN-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285843
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53285782
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
(2S)-N-[(4-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131911
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
CID 132668690
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99131913
N-[3-(4-ethoxyphenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 132666864
N-(2-tert-butylsulfanylethyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285821
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 99131849
(2S)-N-[(2-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132618
(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 99130811
N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide
CID 132663421

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide (CID 132664350) is N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide is CC(C(=O)NCCCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is ZBRVFRPIGXCTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-14(23(27(2,25)26)18-12-6-5-11-17(18)21)19(24)22-13-7-9-15-8-3-4-10-16(15)20/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 412.91 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132664350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).