2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide

C14H11BrF2N2OS — CID 79129889

IUPAC2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(Br)cc2F)cc1F
InChIInChI=1S/C14H11BrF2N2OS/c15-8-1-4-13(11(17)5-8)19-14(20)7-21-9-2-3-12(18)10(16)6-9/h1-6H,7,18H2,(H,19,20)
InChIKeyCJQIPOTZUBUCQN-UHFFFAOYSA-N
MW373.22 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide

2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide (PubChem CID 79129889) has the molecular formula C14H11BrF2N2OS and a molecular weight of 373.22 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
PubChem CID79129889
Molecular FormulaC14H11BrF2N2OS
Molecular Weight373.22 g/mol
Exact Mass371.97
IUPAC Name2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(Br)cc2F)cc1F
InChIInChI=1S/C14H11BrF2N2OS/c15-8-1-4-13(11(17)5-8)19-14(20)7-21-9-2-3-12(18)10(16)6-9/h1-6H,7,18H2,(H,19,20)
InChIKeyCJQIPOTZUBUCQN-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 54.04
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-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055699
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
CID 43305964
N-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 23097520
N-(4-bromo-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2351076
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 55905900
N-(2-aminophenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 55119815
2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79130934
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 7977899
(E)-4-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18896771
N-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 22782329

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide (CID 79129889) is 2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide is Nc1ccc(SCC(=O)Nc2ccc(Br)cc2F)cc1F.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide?
The InChIKey is CJQIPOTZUBUCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2OS/c15-8-1-4-13(11(17)5-8)19-14(20)7-21-9-2-3-12(18)10(16)6-9/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide?
2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide has a molecular weight of 373.22 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 79129889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).