N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide

C19H15BrClFN2OS — CID 167475188

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide
SMILESCc1cc(C)cc(N(C(=O)C(F)Cl)c2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C19H15BrClFN2OS/c1-11-7-12(2)9-15(8-11)24(18(25)17(21)22)19-23-16(10-26-19)13-3-5-14(20)6-4-13/h3-10,17H,1-2H3
InChIKeyANJNYJLZIBBFER-UHFFFAOYSA-N
MW453.76 g/mol
LogP6.39
Rot. Bonds4

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide (PubChem CID 167475188) has the molecular formula C19H15BrClFN2OS and a molecular weight of 453.76 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide
PubChem CID167475188
Molecular FormulaC19H15BrClFN2OS
Molecular Weight453.76 g/mol
Exact Mass451.98
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide
SMILESCc1cc(C)cc(N(C(=O)C(F)Cl)c2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C19H15BrClFN2OS/c1-11-7-12(2)9-15(8-11)24(18(25)17(21)22)19-23-16(10-26-19)13-3-5-14(20)6-4-13/h3-10,17H,1-2H3
InChIKeyANJNYJLZIBBFER-UHFFFAOYSA-N
XLogP6.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.76
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide (CID 167475188) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide is Cc1cc(C)cc(N(C(=O)C(F)Cl)c2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide?
The InChIKey is ANJNYJLZIBBFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClFN2OS/c1-11-7-12(2)9-15(8-11)24(18(25)17(21)22)19-23-16(10-26-19)13-3-5-14(20)6-4-13/h3-10,17H,1-2H3.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide has a molecular weight of 453.76 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide is sourced from PubChem (CID 167475188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).