4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide

C13H16Br2FNO — CID 106169569

IUPAC4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
SMILESCCC(C)(CCBr)NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H16Br2FNO/c1-3-13(2,6-7-14)17-12(18)10-5-4-9(15)8-11(10)16/h4-5,8H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyRMJBDPCANJPEMN-UHFFFAOYSA-N
MW381.08 g/mol
LogP4.27
Rot. Bonds5

About 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide

4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide (PubChem CID 106169569) has the molecular formula C13H16Br2FNO and a molecular weight of 381.08 g/mol. Its IUPAC name is 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
PubChem CID106169569
Molecular FormulaC13H16Br2FNO
Molecular Weight381.08 g/mol
Exact Mass378.96
IUPAC Name4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
SMILESCCC(C)(CCBr)NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H16Br2FNO/c1-3-13(2,6-7-14)17-12(18)10-5-4-9(15)8-11(10)16/h4-5,8H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyRMJBDPCANJPEMN-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.08
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107
N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
CID 106169565
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
4-bromo-N-(3-carbamothioylpentan-3-yl)-2-fluorobenzamide
CID 61121380
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060193
5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106169604
4-(dimethylamino)-2-fluoro-N-[(3R)-1-hydroxy-3-methylpentan-3-yl]benzamide
CID 97340435
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
CID 107730428

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide (CID 106169569) is 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide is CCC(C)(CCBr)NC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide?
The InChIKey is RMJBDPCANJPEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2FNO/c1-3-13(2,6-7-14)17-12(18)10-5-4-9(15)8-11(10)16/h4-5,8H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide?
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide has a molecular weight of 381.08 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 106169569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).