N-[2-(chloromethyl)cyclopentyl]benzamide

C13H16ClNO — CID 106365726

IUPACN-[2-(chloromethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CCl)c1ccccc1
InChIInChI=1S/C13H16ClNO/c14-9-11-7-4-8-12(11)15-13(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)
InChIKeyDMCFFIZHDJCCTQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.82
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]benzamide

N-[2-(chloromethyl)cyclopentyl]benzamide (PubChem CID 106365726) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]benzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]benzamide
PubChem CID106365726
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-[2-(chloromethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CCl)c1ccccc1
InChIInChI=1S/C13H16ClNO/c14-9-11-7-4-8-12(11)15-13(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)
InChIKeyDMCFFIZHDJCCTQ-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179364
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
CID 106365883
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]benzamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]benzamide (CID 106365726) is N-[2-(chloromethyl)cyclopentyl]benzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]benzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]benzamide is O=C(NC1CCCC1CCl)c1ccccc1.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]benzamide?
The InChIKey is DMCFFIZHDJCCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-9-11-7-4-8-12(11)15-13(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]benzamide?
N-[2-(chloromethyl)cyclopentyl]benzamide has a molecular weight of 237.73 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]benzamide is sourced from PubChem (CID 106365726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).