4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide

C13H17BrFNO2 — CID 113228456

IUPAC4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide
SMILESCOCCCCCNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H17BrFNO2/c1-18-8-4-2-3-7-16-13(17)10-5-6-11(14)12(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyUSVMTDILYRZALT-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.13
Rot. Bonds7

About 4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide

4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide (PubChem CID 113228456) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide
PubChem CID113228456
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide
SMILESCOCCCCCNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H17BrFNO2/c1-18-8-4-2-3-7-16-13(17)10-5-6-11(14)12(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyUSVMTDILYRZALT-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 53.13
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

4-bromo-N-(3-chloro-4-methoxybutyl)-3-fluorobenzamide
CID 114163209
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide
CID 60622543
4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide
CID 114297825
3,5-dibromo-N-(4-methoxybutyl)benzamide
CID 103907947
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide (CID 113228456) is 4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide is COCCCCCNC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide?
The InChIKey is USVMTDILYRZALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-18-8-4-2-3-7-16-13(17)10-5-6-11(14)12(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide?
4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide has a molecular weight of 318.19 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide is sourced from PubChem (CID 113228456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).