4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide

C14H11F3N2OS — CID 63188288

IUPAC4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide
SMILESNc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1F
InChIInChI=1S/C14H11F3N2OS/c15-11-7-8(1-6-12(11)18)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyHAIPDLYSLXFLCI-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.97
Rot. Bonds4

About 4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide

4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide (PubChem CID 63188288) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide
PubChem CID63188288
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC Name4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide
SMILESNc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1F
InChIInChI=1S/C14H11F3N2OS/c15-11-7-8(1-6-12(11)18)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyHAIPDLYSLXFLCI-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.97
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

3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
CID 43699005
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
4-amino-N-(4-ethylphenyl)-3-fluorobenzamide
CID 62678871
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
N-[4-(difluoromethylsulfanyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26499454
4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
CID 62679243
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
N-(3-acetamidophenyl)-4-amino-3-fluorobenzamide
CID 62679268
N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26908446
N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4024378

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide?
The IUPAC name of 4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide (CID 63188288) is 4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide is Nc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1F.
What is the InChIKey of 4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide?
The InChIKey is HAIPDLYSLXFLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c15-11-7-8(1-6-12(11)18)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20).
What are the key properties of 4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide?
4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide has a molecular weight of 312.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 63188288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).