N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide

C13H15BrFNO2 — CID 107016888

IUPACN-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(NCC1CCCC1Br)c1ccc(F)cc1O
InChIInChI=1S/C13H15BrFNO2/c14-11-3-1-2-8(11)7-16-13(18)10-5-4-9(15)6-12(10)17/h4-6,8,11,17H,1-3,7H2,(H,16,18)
InChIKeyGUZPKVTUNCJCME-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.82
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide

N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 107016888) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide
PubChem CID107016888
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC NameN-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(NCC1CCCC1Br)c1ccc(F)cc1O
InChIInChI=1S/C13H15BrFNO2/c14-11-3-1-2-8(11)7-16-13(18)10-5-4-9(15)6-12(10)17/h4-6,8,11,17H,1-3,7H2,(H,16,18)
InChIKeyGUZPKVTUNCJCME-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.82
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-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677675
N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
CID 107726047
N-[(2-bromocyclopentyl)methyl]-2-fluoro-4-nitrobenzamide
CID 114313844
5-fluoro-2-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418921
N-[(2-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
CID 113304561
N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 113275446
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
N-[(2-bromocyclopentyl)methyl]-4,5-difluoro-2-nitrobenzamide
CID 114313778
N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
CID 114312152

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide (CID 107016888) is N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide is O=C(NCC1CCCC1Br)c1ccc(F)cc1O.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is GUZPKVTUNCJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c14-11-3-1-2-8(11)7-16-13(18)10-5-4-9(15)6-12(10)17/h4-6,8,11,17H,1-3,7H2,(H,16,18).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide?
N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 316.17 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107016888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).