4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide

C14H18BrClFNO — CID 114145710

IUPAC4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H18BrClFNO/c1-2-3-10(6-7-16)9-18-14(19)12-5-4-11(15)8-13(12)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyLAMGDAZHIJSKLX-UHFFFAOYSA-N
MW350.66 g/mol
LogP4.36
Rot. Bonds7

About 4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide

4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide (PubChem CID 114145710) has the molecular formula C14H18BrClFNO and a molecular weight of 350.66 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
PubChem CID114145710
Molecular FormulaC14H18BrClFNO
Molecular Weight350.66 g/mol
Exact Mass349.02
IUPAC Name4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H18BrClFNO/c1-2-3-10(6-7-16)9-18-14(19)12-5-4-11(15)8-13(12)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyLAMGDAZHIJSKLX-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide
CID 106117750
N-[2-(2-chloroethyl)pentyl]-2-fluoro-4-nitrobenzamide
CID 106117689
2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
CID 106117476
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide
CID 107333565
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide (CID 114145710) is 4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide is CCCC(CCCl)CNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide?
The InChIKey is LAMGDAZHIJSKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO/c1-2-3-10(6-7-16)9-18-14(19)12-5-4-11(15)8-13(12)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide?
4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide has a molecular weight of 350.66 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide is sourced from PubChem (CID 114145710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).