2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide

C15H11BrClF2NO2 — CID 18280186

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11BrClF2NO2/c1-8(22-14-5-2-9(18)6-11(14)16)15(21)20-10-3-4-13(19)12(17)7-10/h2-8H,1H3,(H,20,21)
InChIKeyALJKVIOXQATWRW-UHFFFAOYSA-N
MW390.61 g/mol
LogP4.79
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide

2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 18280186) has the molecular formula C15H11BrClF2NO2 and a molecular weight of 390.61 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID18280186
Molecular FormulaC15H11BrClF2NO2
Molecular Weight390.61 g/mol
Exact Mass388.96
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11BrClF2NO2/c1-8(22-14-5-2-9(18)6-11(14)16)15(21)20-10-3-4-13(19)12(17)7-10/h2-8H,1H3,(H,20,21)
InChIKeyALJKVIOXQATWRW-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728755
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877946
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 8728791
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28631237
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383960

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide (CID 18280186) is 2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide is CC(Oc1ccc(F)cc1Br)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is ALJKVIOXQATWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF2NO2/c1-8(22-14-5-2-9(18)6-11(14)16)15(21)20-10-3-4-13(19)12(17)7-10/h2-8H,1H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide?
2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 390.61 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 18280186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).