N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide

C10H11BrFNO2 — CID 107016848

IUPACN-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCCCBr)c1c(O)cccc1F
InChIInChI=1S/C10H11BrFNO2/c11-5-2-6-13-10(15)9-7(12)3-1-4-8(9)14/h1,3-4,14H,2,5-6H2,(H,13,15)
InChIKeyPRPVMHFINPPDRC-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.05
Rot. Bonds4

About N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide

N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107016848) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.10 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
PubChem CID107016848
Molecular FormulaC10H11BrFNO2
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC NameN-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCCCBr)c1c(O)cccc1F
InChIInChI=1S/C10H11BrFNO2/c11-5-2-6-13-10(15)9-7(12)3-1-4-8(9)14/h1,3-4,14H,2,5-6H2,(H,13,15)
InChIKeyPRPVMHFINPPDRC-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
N-(3-bromopropyl)-2,6-dichlorobenzamide
CID 43133585
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxybenzamide
CID 104917526

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide (CID 107016848) is N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide is O=C(NCCCBr)c1c(O)cccc1F.
What is the InChIKey of N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is PRPVMHFINPPDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-5-2-6-13-10(15)9-7(12)3-1-4-8(9)14/h1,3-4,14H,2,5-6H2,(H,13,15).
What are the key properties of N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide?
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 276.10 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107016848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).