2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide

C15H11ClF2N2O3S — CID 43026503

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESCC(Sc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClF2N2O3S/c1-8(24-10-3-5-12(17)11(16)7-10)15(21)19-9-2-4-13(18)14(6-9)20(22)23/h2-8H,1H3,(H,19,21)
InChIKeyOMCITUMHPMKKFO-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.65
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide

2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide (PubChem CID 43026503) has the molecular formula C15H11ClF2N2O3S and a molecular weight of 372.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
PubChem CID43026503
Molecular FormulaC15H11ClF2N2O3S
Molecular Weight372.78 g/mol
Exact Mass372.01
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESCC(Sc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClF2N2O3S/c1-8(24-10-3-5-12(17)11(16)7-10)15(21)19-9-2-4-13(18)14(6-9)20(22)23/h2-8H,1H3,(H,19,21)
InChIKeyOMCITUMHPMKKFO-UHFFFAOYSA-N
XLogP4.65
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55387447
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7456444
(2R)-2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7950434
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 8680581
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 8859309
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 8763649
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 8988625
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417259

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide (CID 43026503) is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide is CC(Sc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The InChIKey is OMCITUMHPMKKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O3S/c1-8(24-10-3-5-12(17)11(16)7-10)15(21)19-9-2-4-13(18)14(6-9)20(22)23/h2-8H,1H3,(H,19,21).
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide has a molecular weight of 372.78 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide is sourced from PubChem (CID 43026503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).