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

C15H14F2N2OS — CID 29034872

IUPACN-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESNc1cc(NC(=O)CCSc2ccc(F)cc2)ccc1F
InChIInChI=1S/C15H14F2N2OS/c16-10-1-4-12(5-2-10)21-8-7-15(20)19-11-3-6-13(17)14(18)9-11/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeySEGKGDPIBQYXCR-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.67
Rot. Bonds5

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

N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 29034872) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID29034872
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESNc1cc(NC(=O)CCSc2ccc(F)cc2)ccc1F
InChIInChI=1S/C15H14F2N2OS/c16-10-1-4-12(5-2-10)21-8-7-15(20)19-11-3-6-13(17)14(18)9-11/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeySEGKGDPIBQYXCR-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-(3-amino-4-fluorophenyl)-3-propan-2-ylsulfanylpropanamide
CID 60885351
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide
CID 926005
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 7941129
N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 55916977
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034745

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide (CID 29034872) is N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide is Nc1cc(NC(=O)CCSc2ccc(F)cc2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is SEGKGDPIBQYXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c16-10-1-4-12(5-2-10)21-8-7-15(20)19-11-3-6-13(17)14(18)9-11/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 308.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 29034872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).