N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide

C14H17ClFNO — CID 106366080

IUPACN-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1CCCC1CCl
InChIInChI=1S/C14H17ClFNO/c15-9-11-4-2-6-13(11)17-14(18)8-10-3-1-5-12(16)7-10/h1,3,5,7,11,13H,2,4,6,8-9H2,(H,17,18)
InChIKeyMYUMYDLOPWPEAO-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.89
Rot. Bonds4

About N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide

N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide (PubChem CID 106366080) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide
PubChem CID106366080
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1CCCC1CCl
InChIInChI=1S/C14H17ClFNO/c15-9-11-4-2-6-13(11)17-14(18)8-10-3-1-5-12(16)7-10/h1,3,5,7,11,13H,2,4,6,8-9H2,(H,17,18)
InChIKeyMYUMYDLOPWPEAO-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.89
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-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
CID 114179367
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
CID 106365254
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 119604718
N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
CID 106366253
N-[2-(chloromethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106365962
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 106366301
2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide
CID 111464107
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide (CID 106366080) is N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NC1CCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is MYUMYDLOPWPEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-9-11-4-2-6-13(11)17-14(18)8-10-3-1-5-12(16)7-10/h1,3,5,7,11,13H,2,4,6,8-9H2,(H,17,18).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide?
N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 269.75 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 106366080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).