N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide

C14H18BrF2NO — CID 106117950

IUPACN-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
SMILESCCCC(CCBr)CNC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H18BrF2NO/c1-2-4-10(7-8-15)9-18-14(19)13-11(16)5-3-6-12(13)17/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,19)
InChIKeyRPQOMGZDFRDVBW-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.90
Rot. Bonds7

About N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide

N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide (PubChem CID 106117950) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
PubChem CID106117950
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
SMILESCCCC(CCBr)CNC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H18BrF2NO/c1-2-4-10(7-8-15)9-18-14(19)13-11(16)5-3-6-12(13)17/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,19)
InChIKeyRPQOMGZDFRDVBW-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.90
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-fluoro-6-hydroxybenzamide
CID 106117986
2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide
CID 114145812
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-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
4-[(2,6-difluorobenzoyl)amino]-N-(2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 70304735
N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
CID 107016983
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
CID 106117964
N-[2-(2-bromoethyl)pentyl]-2-chloro-6-nitrobenzamide
CID 106118239
N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
CID 106118118

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide (CID 106117950) is N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide is CCCC(CCBr)CNC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide?
The InChIKey is RPQOMGZDFRDVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c1-2-4-10(7-8-15)9-18-14(19)13-11(16)5-3-6-12(13)17/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide?
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide has a molecular weight of 334.20 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide is sourced from PubChem (CID 106117950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).