2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide

C15H12BrClFNO2 — CID 54788434

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H12BrClFNO2/c1-9(21-14-6-5-10(17)7-13(14)16)15(20)19-12-4-2-3-11(18)8-12/h2-9H,1H3,(H,19,20)
InChIKeySHLBICADDACNET-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.65
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide (PubChem CID 54788434) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
PubChem CID54788434
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H12BrClFNO2/c1-9(21-14-6-5-10(17)7-13(14)16)15(20)19-12-4-2-3-11(18)8-12/h2-9H,1H3,(H,19,20)
InChIKeySHLBICADDACNET-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 18280186
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877946
N-[3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17187626
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231884
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide
CID 17095115
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide (CID 54788434) is 2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide?
The InChIKey is SHLBICADDACNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-9(21-14-6-5-10(17)7-13(14)16)15(20)19-12-4-2-3-11(18)8-12/h2-9H,1H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide has a molecular weight of 372.62 g/mol, XLogP of 4.65, 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-chlorophenoxy)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 54788434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).