N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide

C16H14Br2FNO2 — CID 17099076

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H14Br2FNO2/c1-16(2,22-12-6-3-10(17)4-7-12)15(21)20-14-8-5-11(18)9-13(14)19/h3-9H,1-2H3,(H,20,21)
InChIKeyJTCOTEKTZXINQK-UHFFFAOYSA-N
MW431.10 g/mol
LogP5.15
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide

N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide (PubChem CID 17099076) has the molecular formula C16H14Br2FNO2 and a molecular weight of 431.10 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide
PubChem CID17099076
Molecular FormulaC16H14Br2FNO2
Molecular Weight431.10 g/mol
Exact Mass428.94
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H14Br2FNO2/c1-16(2,22-12-6-3-10(17)4-7-12)15(21)20-14-8-5-11(18)9-13(14)19/h3-9H,1-2H3,(H,20,21)
InChIKeyJTCOTEKTZXINQK-UHFFFAOYSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.10
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 100828381
2-(4-bromophenoxy)-N-(2-ethylphenyl)-2-methylpropanamide
CID 17162562
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 55121126
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
N-(4-bromo-2-fluorophenyl)-2-oxopropanamide
CID 144805374
N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide
CID 1154183
2-(4-fluorophenoxy)-N-(2-hydroxyphenyl)-2-methylpropanamide
CID 86978390

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide (CID 17099076) is N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
The InChIKey is JTCOTEKTZXINQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2FNO2/c1-16(2,22-12-6-3-10(17)4-7-12)15(21)20-14-8-5-11(18)9-13(14)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide has a molecular weight of 431.10 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide is sourced from PubChem (CID 17099076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).