2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide

C19H16BrClN2OS — CID 108748311

IUPAC2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C19H16BrClN2OS/c1-2-15(20)18(24)22-13-7-5-6-12(10-13)17-11-25-19(23-17)14-8-3-4-9-16(14)21/h3-11,15H,2H2,1H3,(H,22,24)
InChIKeyAXJIBLDDIICDCG-UHFFFAOYSA-N
MW435.77 g/mol
LogP6.24
Rot. Bonds5

About 2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide

2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide (PubChem CID 108748311) has the molecular formula C19H16BrClN2OS and a molecular weight of 435.77 g/mol. Its IUPAC name is 2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
PubChem CID108748311
Molecular FormulaC19H16BrClN2OS
Molecular Weight435.77 g/mol
Exact Mass433.99
IUPAC Name2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C19H16BrClN2OS/c1-2-15(20)18(24)22-13-7-5-6-12(10-13)17-11-25-19(23-17)14-8-3-4-9-16(14)21/h3-11,15H,2H2,1H3,(H,22,24)
InChIKeyAXJIBLDDIICDCG-UHFFFAOYSA-N
XLogP6.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.77
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856308
2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748316
2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748322
2-bromo-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748042
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108748350
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
CID 108770304
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108770278
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
CID 108784185
[3-[[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamoyl]phenyl] acetate
CID 108770246
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide
CID 108748379

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The IUPAC name of 2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide (CID 108748311) is 2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide.
What is the SMILES notation for 2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The canonical SMILES for 2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide is CCC(Br)C(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of 2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The InChIKey is AXJIBLDDIICDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2OS/c1-2-15(20)18(24)22-13-7-5-6-12(10-13)17-11-25-19(23-17)14-8-3-4-9-16(14)21/h3-11,15H,2H2,1H3,(H,22,24).
What are the key properties of 2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide has a molecular weight of 435.77 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide is sourced from PubChem (CID 108748311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).