N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide

C13H15BrClNO2 — CID 106366538

IUPACN-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
SMILESO=C(NC1CCCC1CBr)c1ccc(Cl)cc1O
InChIInChI=1S/C13H15BrClNO2/c14-7-8-2-1-3-11(8)16-13(18)10-5-4-9(15)6-12(10)17/h4-6,8,11,17H,1-3,7H2,(H,16,18)
InChIKeyBSOQJSJINYKJKI-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.34
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide

N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide (PubChem CID 106366538) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
PubChem CID106366538
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
SMILESO=C(NC1CCCC1CBr)c1ccc(Cl)cc1O
InChIInChI=1S/C13H15BrClNO2/c14-7-8-2-1-3-11(8)16-13(18)10-5-4-9(15)6-12(10)17/h4-6,8,11,17H,1-3,7H2,(H,16,18)
InChIKeyBSOQJSJINYKJKI-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.34
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-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
N-[2-(bromomethyl)cyclohexyl]-4-chloro-2-nitrobenzamide
CID 106367375
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
CID 113272580
4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978486
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 106366353
N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide
CID 112753008
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
N-[2-(bromomethyl)cyclopentyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106366436

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide (CID 106366538) is N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide is O=C(NC1CCCC1CBr)c1ccc(Cl)cc1O.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide?
The InChIKey is BSOQJSJINYKJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-7-8-2-1-3-11(8)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-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide?
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide has a molecular weight of 332.63 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 106366538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).