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

C17H17BrFNO2 — CID 53267566

IUPACN-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H17BrFNO2/c1-2-22-14-7-3-12(4-8-14)5-10-17(21)20-16-9-6-13(18)11-15(16)19/h3-4,6-9,11H,2,5,10H2,1H3,(H,20,21)
InChIKeyVEKXERYQQCIHDS-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.56
Rot. Bonds6

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

N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide (PubChem CID 53267566) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
PubChem CID53267566
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H17BrFNO2/c1-2-22-14-7-3-12(4-8-14)5-10-17(21)20-16-9-6-13(18)11-15(16)19/h3-4,6-9,11H,2,5,10H2,1H3,(H,20,21)
InChIKeyVEKXERYQQCIHDS-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.56
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
N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide
CID 100760984
N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 126311869
N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
N-(4-bromo-2-fluorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126415456
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109039955
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide (CID 53267566) is N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide?
The InChIKey is VEKXERYQQCIHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-2-22-14-7-3-12(4-8-14)5-10-17(21)20-16-9-6-13(18)11-15(16)19/h3-4,6-9,11H,2,5,10H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide?
N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide has a molecular weight of 366.23 g/mol, XLogP of 4.56, 6 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-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 53267566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).