N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide

C11H7BrFN3O3S — CID 103297178

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)Nc2ncc(Br)s2)c1F
InChIInChI=1S/C11H7BrFN3O3S/c1-5-2-6(16(18)19)3-7(9(5)13)10(17)15-11-14-4-8(12)20-11/h2-4H,1H3,(H,14,15,17)
InChIKeyJCLDUJBLTMAGDD-UHFFFAOYSA-N
MW360.16 g/mol
LogP3.51
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide

N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide (PubChem CID 103297178) has the molecular formula C11H7BrFN3O3S and a molecular weight of 360.16 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
PubChem CID103297178
Molecular FormulaC11H7BrFN3O3S
Molecular Weight360.16 g/mol
Exact Mass358.94
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)Nc2ncc(Br)s2)c1F
InChIInChI=1S/C11H7BrFN3O3S/c1-5-2-6(16(18)19)3-7(9(5)13)10(17)15-11-14-4-8(12)20-11/h2-4H,1H3,(H,14,15,17)
InChIKeyJCLDUJBLTMAGDD-UHFFFAOYSA-N
XLogP3.51
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107261812
N-(5-bromo-1,3-thiazol-2-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 60783546
N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82815247
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide
CID 107261878
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297649
2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide
CID 103297109
N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19578055
N-(5-bromo-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 60654750
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-2-hydroxybenzamide
CID 53309399

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide (CID 103297178) is N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ncc(Br)s2)c1F.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
The InChIKey is JCLDUJBLTMAGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O3S/c1-5-2-6(16(18)19)3-7(9(5)13)10(17)15-11-14-4-8(12)20-11/h2-4H,1H3,(H,14,15,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide has a molecular weight of 360.16 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 103297178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).