N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide

C13H16ClNO3 — CID 107729007

IUPACN-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
SMILESO=C(NCC1CCCC1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C13H16ClNO3/c14-10-3-1-2-9(10)7-15-13(18)8-4-5-11(16)12(17)6-8/h4-6,9-10,16-17H,1-3,7H2,(H,15,18)
InChIKeyQLRIGWSHOIKFOQ-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.24
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide

N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide (PubChem CID 107729007) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
PubChem CID107729007
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
SMILESO=C(NCC1CCCC1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C13H16ClNO3/c14-10-3-1-2-9(10)7-15-13(18)8-4-5-11(16)12(17)6-8/h4-6,9-10,16-17H,1-3,7H2,(H,15,18)
InChIKeyQLRIGWSHOIKFOQ-UHFFFAOYSA-N
XLogP2.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide
CID 114303029
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 114306751
N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
CID 114303164
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
CID 114301502
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
N-[(2-chlorocyclohexyl)methyl]pyrimidine-5-carboxamide
CID 102922761

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide (CID 107729007) is N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide is O=C(NCC1CCCC1Cl)c1ccc(O)c(O)c1.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide?
The InChIKey is QLRIGWSHOIKFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-10-3-1-2-9(10)7-15-13(18)8-4-5-11(16)12(17)6-8/h4-6,9-10,16-17H,1-3,7H2,(H,15,18).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide?
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide has a molecular weight of 269.73 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide is sourced from PubChem (CID 107729007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).