N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide

C18H14BrFN2OS — CID 53037661

IUPACN-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide
SMILESCCc1nc(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)cs1
InChIInChI=1S/C18H14BrFN2OS/c1-2-17-21-16(10-24-17)11-3-5-12(6-4-11)18(23)22-15-8-7-13(19)9-14(15)20/h3-10H,2H2,1H3,(H,22,23)
InChIKeyZKIXWTYGMIUJNI-UHFFFAOYSA-N
MW405.29 g/mol
LogP5.53
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide

N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide (PubChem CID 53037661) has the molecular formula C18H14BrFN2OS and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide
PubChem CID53037661
Molecular FormulaC18H14BrFN2OS
Molecular Weight405.29 g/mol
Exact Mass404.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide
SMILESCCc1nc(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)cs1
InChIInChI=1S/C18H14BrFN2OS/c1-2-17-21-16(10-24-17)11-3-5-12(6-4-11)18(23)22-15-8-7-13(19)9-14(15)20/h3-10H,2H2,1H3,(H,22,23)
InChIKeyZKIXWTYGMIUJNI-UHFFFAOYSA-N
XLogP5.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.29
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
CID 2991219
N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide
CID 1214398
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-cyclopentyl-4-(2-ethyl-1,3-thiazol-4-yl)benzamide
CID 53037643
N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618436
4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide
CID 78820007
N-(4-bromo-2-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618111
5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534184
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide (CID 53037661) is N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide is CCc1nc(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)cs1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is ZKIXWTYGMIUJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2OS/c1-2-17-21-16(10-24-17)11-3-5-12(6-4-11)18(23)22-15-8-7-13(19)9-14(15)20/h3-10H,2H2,1H3,(H,22,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide?
N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 405.29 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 53037661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).