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

C15H12Br2FNO2 — CID 134059439

IUPACN-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
SMILESO=C(CCOc1cccc(Br)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12Br2FNO2/c16-10-2-1-3-12(8-10)21-7-6-15(20)19-14-5-4-11(17)9-13(14)18/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyHLPOTOKYCAHSKD-UHFFFAOYSA-N
MW417.07 g/mol
LogP4.76
Rot. Bonds5

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

N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide (PubChem CID 134059439) has the molecular formula C15H12Br2FNO2 and a molecular weight of 417.07 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
PubChem CID134059439
Molecular FormulaC15H12Br2FNO2
Molecular Weight417.07 g/mol
Exact Mass414.92
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
SMILESO=C(CCOc1cccc(Br)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12Br2FNO2/c16-10-2-1-3-12(8-10)21-7-6-15(20)19-14-5-4-11(17)9-13(14)18/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyHLPOTOKYCAHSKD-UHFFFAOYSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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)-3-(4-ethylphenoxy)propanamide
CID 108807316
4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide
CID 7958724
3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610
N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
CID 26589795
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865411

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide (CID 134059439) is N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide is O=C(CCOc1cccc(Br)c1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide?
The InChIKey is HLPOTOKYCAHSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO2/c16-10-2-1-3-12(8-10)21-7-6-15(20)19-14-5-4-11(17)9-13(14)18/h1-5,8-9H,6-7H2,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide?
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide has a molecular weight of 417.07 g/mol, XLogP of 4.76, 5 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)-3-(3-bromophenoxy)propanamide is sourced from PubChem (CID 134059439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).