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

C15H12Br2FNO2 — CID 18084152

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12Br2FNO2/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-14-7-4-11(17)8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyRZAFTYAOBXTSFO-UHFFFAOYSA-N
MW417.07 g/mol
LogP4.76
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide (PubChem CID 18084152) has the molecular formula C15H12Br2FNO2 and a molecular weight of 417.07 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
PubChem CID18084152
Molecular FormulaC15H12Br2FNO2
Molecular Weight417.07 g/mol
Exact Mass414.92
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12Br2FNO2/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-14-7-4-11(17)8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyRZAFTYAOBXTSFO-UHFFFAOYSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 18084154
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578082
(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 95079877
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
CID 8956661
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)propanoate
CID 55420222
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide (CID 18084152) is N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide?
The InChIKey is RZAFTYAOBXTSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO2/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-14-7-4-11(17)8-13(14)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide?
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide has a molecular weight of 417.07 g/mol, XLogP of 4.76, 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)propanamide is sourced from PubChem (CID 18084152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).