N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide

C14H19BrFNO2 — CID 106117986

IUPACN-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide
SMILESCCCC(CCBr)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C14H19BrFNO2/c1-2-4-10(7-8-15)9-17-14(19)13-11(16)5-3-6-12(13)18/h3,5-6,10,18H,2,4,7-9H2,1H3,(H,17,19)
InChIKeyKOYWPKINIPTAEO-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide

N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 106117986) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide
PubChem CID106117986
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide
SMILESCCCC(CCBr)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C14H19BrFNO2/c1-2-4-10(7-8-15)9-17-14(19)13-11(16)5-3-6-12(13)18/h3,5-6,10,18H,2,4,7-9H2,1H3,(H,17,19)
InChIKeyKOYWPKINIPTAEO-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bromopentyl)-2-fluoro-6-hydroxybenzamide
CID 107016983
2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide
CID 114145812
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145
N-(2-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107016981
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
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide (CID 106117986) is N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide is CCCC(CCBr)CNC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is KOYWPKINIPTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-2-4-10(7-8-15)9-17-14(19)13-11(16)5-3-6-12(13)18/h3,5-6,10,18H,2,4,7-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide?
N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 332.21 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 106117986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).