N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide

C13H16ClNO2 — CID 114300478

IUPACN-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
SMILESO=C(NC1(CCl)CCCC1)c1cccc(O)c1
InChIInChI=1S/C13H16ClNO2/c14-9-13(6-1-2-7-13)15-12(17)10-4-3-5-11(16)8-10/h3-5,8,16H,1-2,6-7,9H2,(H,15,17)
InChIKeyORDLZEKEGSVSRO-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.67
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide

N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide (PubChem CID 114300478) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
PubChem CID114300478
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
SMILESO=C(NC1(CCl)CCCC1)c1cccc(O)c1
InChIInChI=1S/C13H16ClNO2/c14-9-13(6-1-2-7-13)15-12(17)10-4-3-5-11(16)8-10/h3-5,8,16H,1-2,6-7,9H2,(H,15,17)
InChIKeyORDLZEKEGSVSRO-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.67
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-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-[1-(chloromethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 114300601
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132
2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 114300519
N-[4-(chloromethyl)oxan-4-yl]-3-fluorobenzamide
CID 106300657
N-[4-(chloromethyl)oxan-4-yl]-3-iodobenzamide
CID 106300481
N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
CID 114300617
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118
N-[4-(bromomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106304718
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996
N-[1-(chloromethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114303315
3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
CID 107975022

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide (CID 114300478) is N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide is O=C(NC1(CCl)CCCC1)c1cccc(O)c1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide?
The InChIKey is ORDLZEKEGSVSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-9-13(6-1-2-7-13)15-12(17)10-4-3-5-11(16)8-10/h3-5,8,16H,1-2,6-7,9H2,(H,15,17).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide?
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide has a molecular weight of 253.73 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide is sourced from PubChem (CID 114300478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).