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

C17H17BrFNO2 — CID 108807316

IUPACN-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H17BrFNO2/c1-2-12-3-6-14(7-4-12)22-10-9-17(21)20-16-8-5-13(18)11-15(16)19/h3-8,11H,2,9-10H2,1H3,(H,20,21)
InChIKeyFUAHRVUXKCRAJC-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.56
Rot. Bonds6

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

N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide (PubChem CID 108807316) 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-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
PubChem CID108807316
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H17BrFNO2/c1-2-12-3-6-14(7-4-12)22-10-9-17(21)20-16-8-5-13(18)11-15(16)19/h3-8,11H,2,9-10H2,1H3,(H,20,21)
InChIKeyFUAHRVUXKCRAJC-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-ethoxyphenyl)propanamide
CID 53267566
N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 53268051
N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31893094
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 55481998
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide (CID 108807316) is N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide is CCc1ccc(OCCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide?
The InChIKey is FUAHRVUXKCRAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-2-12-3-6-14(7-4-12)22-10-9-17(21)20-16-8-5-13(18)11-15(16)19/h3-8,11H,2,9-10H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide?
N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)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-ethylphenoxy)propanamide is sourced from PubChem (CID 108807316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).