2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide

C18H19BrFNO2 — CID 42572295

IUPAC2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C18H19BrFNO2/c19-15-5-3-14(4-6-15)13-18(22)21-11-1-2-12-23-17-9-7-16(20)8-10-17/h3-10H,1-2,11-13H2,(H,21,22)
InChIKeyGLNDAZMRSVCJFR-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.11
Rot. Bonds8

About 2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide

2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide (PubChem CID 42572295) has the molecular formula C18H19BrFNO2 and a molecular weight of 380.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
PubChem CID42572295
Molecular FormulaC18H19BrFNO2
Molecular Weight380.26 g/mol
Exact Mass379.06
IUPAC Name2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C18H19BrFNO2/c19-15-5-3-14(4-6-15)13-18(22)21-11-1-2-12-23-17-9-7-16(20)8-10-17/h3-10H,1-2,11-13H2,(H,21,22)
InChIKeyGLNDAZMRSVCJFR-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.11
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-acetamidophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572371
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
2-bromo-5-fluoro-N-[3-[4-(4-fluorophenoxy)butylamino]-3-oxopropyl]benzamide
CID 55793280
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
N-(4-bromobutyl)-2-(4-bromophenyl)acetamide
CID 106845842
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
CID 42572483

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide (CID 42572295) is 2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide is O=C(Cc1ccc(Br)cc1)NCCCCOc1ccc(F)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide?
The InChIKey is GLNDAZMRSVCJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO2/c19-15-5-3-14(4-6-15)13-18(22)21-11-1-2-12-23-17-9-7-16(20)8-10-17/h3-10H,1-2,11-13H2,(H,21,22).
What are the key properties of 2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide?
2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide has a molecular weight of 380.26 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide is sourced from PubChem (CID 42572295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).