N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide

C14H17BrClNO2 — CID 106503177

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide
SMILESO=C(NCC1(CBr)CCCC1)c1cc(O)ccc1Cl
InChIInChI=1S/C14H17BrClNO2/c15-8-14(5-1-2-6-14)9-17-13(19)11-7-10(18)3-4-12(11)16/h3-4,7,18H,1-2,5-6,8-9H2,(H,17,19)
InChIKeyCIOGVKHTDPHYCQ-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.73
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide (PubChem CID 106503177) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide
PubChem CID106503177
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide
SMILESO=C(NCC1(CBr)CCCC1)c1cc(O)ccc1Cl
InChIInChI=1S/C14H17BrClNO2/c15-8-14(5-1-2-6-14)9-17-13(19)11-7-10(18)3-4-12(11)16/h3-4,7,18H,1-2,5-6,8-9H2,(H,17,19)
InChIKeyCIOGVKHTDPHYCQ-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.73
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-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-hydroxybenzamide
CID 106502082
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide
CID 103969750
N-[[1-(bromomethyl)cyclopropyl]methyl]-3,4-dichlorobenzamide
CID 115456401
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide
CID 114107082

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide (CID 106503177) is N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide is O=C(NCC1(CBr)CCCC1)c1cc(O)ccc1Cl.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide?
The InChIKey is CIOGVKHTDPHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-8-14(5-1-2-6-14)9-17-13(19)11-7-10(18)3-4-12(11)16/h3-4,7,18H,1-2,5-6,8-9H2,(H,17,19).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide has a molecular weight of 346.65 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106503177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).