2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide

C19H21BrFNO2 — CID 60526818

IUPAC2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(OCCCNC(=O)Cc1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C19H21BrFNO2/c1-14(16-6-3-2-4-7-16)24-11-5-10-22-19(23)13-15-8-9-18(21)17(20)12-15/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,22,23)
InChIKeyVXSZNEGQMQJCKT-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.41
Rot. Bonds8

About 2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide

2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide (PubChem CID 60526818) has the molecular formula C19H21BrFNO2 and a molecular weight of 394.28 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
PubChem CID60526818
Molecular FormulaC19H21BrFNO2
Molecular Weight394.28 g/mol
Exact Mass393.07
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(OCCCNC(=O)Cc1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C19H21BrFNO2/c1-14(16-6-3-2-4-7-16)24-11-5-10-22-19(23)13-15-8-9-18(21)17(20)12-15/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,22,23)
InChIKeyVXSZNEGQMQJCKT-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 46536800
2-(3-bromo-4-fluorophenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432592
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 134039850
2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536768
N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
CID 119384307
2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119507812
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327
4-(ethylsulfanylmethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55898740
4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 43048234
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide (CID 60526818) is 2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide is CC(OCCCNC(=O)Cc1ccc(F)c(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The InChIKey is VXSZNEGQMQJCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO2/c1-14(16-6-3-2-4-7-16)24-11-5-10-22-19(23)13-15-8-9-18(21)17(20)12-15/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,22,23).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide has a molecular weight of 394.28 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 60526818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).