N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide

C14H18ClNO2 — CID 113272929

IUPACN-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCC2Cl)cc1O
InChIInChI=1S/C14H18ClNO2/c1-9-5-6-10(7-13(9)17)14(18)16-8-11-3-2-4-12(11)15/h5-7,11-12,17H,2-4,8H2,1H3,(H,16,18)
InChIKeyHDQBFGFIYYBMST-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.84
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide

N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide (PubChem CID 113272929) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
PubChem CID113272929
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCC2Cl)cc1O
InChIInChI=1S/C14H18ClNO2/c1-9-5-6-10(7-13(9)17)14(18)16-8-11-3-2-4-12(11)15/h5-7,11-12,17H,2-4,8H2,1H3,(H,16,18)
InChIKeyHDQBFGFIYYBMST-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.84
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-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 114306751
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113272641
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
CID 106133207
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide
CID 114303029
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
CID 114301502

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide (CID 113272929) is N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCC2CCCC2Cl)cc1O.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is HDQBFGFIYYBMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-5-6-10(7-13(9)17)14(18)16-8-11-3-2-4-12(11)15/h5-7,11-12,17H,2-4,8H2,1H3,(H,16,18).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide?
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 267.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 113272929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).