N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C17H13BrFN3OS — CID 7145540

IUPACN-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc(Br)cc2F)c2ccccc2n1
InChIInChI=1S/C17H13BrFN3OS/c1-10-20-14-5-3-2-4-12(14)17(21-10)24-9-16(23)22-15-7-6-11(18)8-13(15)19/h2-8H,9H2,1H3,(H,22,23)
InChIKeyVXOJVPIFTAWLBY-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.57
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7145540) has the molecular formula C17H13BrFN3OS and a molecular weight of 406.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7145540
Molecular FormulaC17H13BrFN3OS
Molecular Weight406.28 g/mol
Exact Mass404.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc(Br)cc2F)c2ccccc2n1
InChIInChI=1S/C17H13BrFN3OS/c1-10-20-14-5-3-2-4-12(14)17(21-10)24-9-16(23)22-15-7-6-11(18)8-13(15)19/h2-8H,9H2,1H3,(H,22,23)
InChIKeyVXOJVPIFTAWLBY-UHFFFAOYSA-N
XLogP4.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
N-(4-bromo-2-fluorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 4318099
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78900416
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 18272078
2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
CID 7134044
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 1442417
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16541604

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7145540) is N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2ccc(Br)cc2F)c2ccccc2n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is VXOJVPIFTAWLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3OS/c1-10-20-14-5-3-2-4-12(14)17(21-10)24-9-16(23)22-15-7-6-11(18)8-13(15)19/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 406.28 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7145540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).