2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide

C14H18Br2FNO — CID 114145812

IUPAC2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide
SMILESCCCC(CCBr)CNC(=O)c1cccc(F)c1Br
InChIInChI=1S/C14H18Br2FNO/c1-2-4-10(7-8-15)9-18-14(19)11-5-3-6-12(17)13(11)16/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,19)
InChIKeyOIBIQVCVQYZUAJ-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.52
Rot. Bonds7

About 2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide

2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide (PubChem CID 114145812) has the molecular formula C14H18Br2FNO and a molecular weight of 395.11 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide
PubChem CID114145812
Molecular FormulaC14H18Br2FNO
Molecular Weight395.11 g/mol
Exact Mass392.97
IUPAC Name2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide
SMILESCCCC(CCBr)CNC(=O)c1cccc(F)c1Br
InChIInChI=1S/C14H18Br2FNO/c1-2-4-10(7-8-15)9-18-14(19)11-5-3-6-12(17)13(11)16/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,19)
InChIKeyOIBIQVCVQYZUAJ-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.52
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

N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide
CID 106117986
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
2-bromo-6-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103747776
N-[2-(2-bromoethyl)pentyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106118024
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854
2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide
CID 106287681
N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide
CID 106118002
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
4-[(2-bromo-3-fluorobenzoyl)amino]-2-fluoro-3-methylbutanoic acid
CID 166279725
3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
CID 114145772
4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
CID 114145710

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide?
The IUPAC name of 2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide (CID 114145812) is 2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide is CCCC(CCBr)CNC(=O)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide?
The InChIKey is OIBIQVCVQYZUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2FNO/c1-2-4-10(7-8-15)9-18-14(19)11-5-3-6-12(17)13(11)16/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide?
2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide has a molecular weight of 395.11 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide is sourced from PubChem (CID 114145812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).