N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide

C9H9ClFNOS — CID 107025056

IUPACN-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide
SMILESO=C(CCS)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNOS/c10-7-2-1-6(5-8(7)11)12-9(13)3-4-14/h1-2,5,14H,3-4H2,(H,12,13)
InChIKeyNMOIPTUGAQNFPM-UHFFFAOYSA-N
MW233.69 g/mol
LogP2.74
Rot. Bonds3

About N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide

N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide (PubChem CID 107025056) has the molecular formula C9H9ClFNOS and a molecular weight of 233.69 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide
PubChem CID107025056
Molecular FormulaC9H9ClFNOS
Molecular Weight233.69 g/mol
Exact Mass233.01
IUPAC NameN-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide
SMILESO=C(CCS)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNOS/c10-7-2-1-6(5-8(7)11)12-9(13)3-4-14/h1-2,5,14H,3-4H2,(H,12,13)
InChIKeyNMOIPTUGAQNFPM-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 47313465
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
2-(4-chloro-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60536545
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79285958
2-(2-aminophenyl)-N-(4-chloro-3-fluorophenyl)acetamide
CID 61466448
5-(4-chloro-3-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62965409
N'-(4-chloro-3-fluorophenyl)oxamide
CID 70886699
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide (CID 107025056) is N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide is O=C(CCS)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide?
The InChIKey is NMOIPTUGAQNFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNOS/c10-7-2-1-6(5-8(7)11)12-9(13)3-4-14/h1-2,5,14H,3-4H2,(H,12,13).
What are the key properties of N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide?
N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide has a molecular weight of 233.69 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107025056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).