4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C14H18ClNO2 — CID 55082146

IUPAC4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1ccc(CCl)cc1
InChIInChI=1S/C14H18ClNO2/c15-9-11-3-5-12(6-4-11)13(18)16-14(10-17)7-1-2-8-14/h3-6,17H,1-2,7-10H2,(H,16,18)
InChIKeyFRDCBIIHDXFXCK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.46
Rot. Bonds4

About 4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide

4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 55082146) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID55082146
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1ccc(CCl)cc1
InChIInChI=1S/C14H18ClNO2/c15-9-11-3-5-12(6-4-11)13(18)16-14(10-17)7-1-2-8-14/h3-6,17H,1-2,7-10H2,(H,16,18)
InChIKeyFRDCBIIHDXFXCK-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.46
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-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide
CID 62517205
1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide
CID 110008830
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 110008816
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-carboxamide
CID 110008429
4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62518563
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 55082146) is 4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1(CO)CCCC1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is FRDCBIIHDXFXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-9-11-3-5-12(6-4-11)13(18)16-14(10-17)7-1-2-8-14/h3-6,17H,1-2,7-10H2,(H,16,18).
What are the key properties of 4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 267.76 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 55082146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).