5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide

C16H14BrClFNO2 — CID 42571761

IUPAC5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
SMILESO=C(NCCCOc1ccccc1F)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H14BrClFNO2/c17-11-6-7-13(18)12(10-11)16(21)20-8-3-9-22-15-5-2-1-4-14(15)19/h1-2,4-7,10H,3,8-9H2,(H,20,21)
InChIKeyVITPFSNQJUMPTF-UHFFFAOYSA-N
MW386.65 g/mol
LogP4.44
Rot. Bonds6

About 5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide

5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide (PubChem CID 42571761) has the molecular formula C16H14BrClFNO2 and a molecular weight of 386.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
PubChem CID42571761
Molecular FormulaC16H14BrClFNO2
Molecular Weight386.65 g/mol
Exact Mass384.99
IUPAC Name5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
SMILESO=C(NCCCOc1ccccc1F)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H14BrClFNO2/c17-11-6-7-13(18)12(10-11)16(21)20-8-3-9-22-15-5-2-1-4-14(15)19/h1-2,4-7,10H,3,8-9H2,(H,20,21)
InChIKeyVITPFSNQJUMPTF-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 54.44
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-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 3107152
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 52706556
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
CID 39490271
N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
CID 24517721
N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500099
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
7-[(5-bromo-2-chlorobenzoyl)amino]heptanoic acid
CID 43240050
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide (CID 42571761) is 5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide is O=C(NCCCOc1ccccc1F)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide?
The InChIKey is VITPFSNQJUMPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO2/c17-11-6-7-13(18)12(10-11)16(21)20-8-3-9-22-15-5-2-1-4-14(15)19/h1-2,4-7,10H,3,8-9H2,(H,20,21).
What are the key properties of 5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide?
5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide has a molecular weight of 386.65 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide is sourced from PubChem (CID 42571761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).