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

C14H17Cl2NO — CID 114179367

IUPACN-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCCC1CCl
InChIInChI=1S/C14H17Cl2NO/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)
InChIKeyFMILPAPKVGKXAG-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.41
Rot. Bonds4

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

N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide (PubChem CID 114179367) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
PubChem CID114179367
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCCC1CCl
InChIInChI=1S/C14H17Cl2NO/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)
InChIKeyFMILPAPKVGKXAG-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.41
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-fluorophenyl)acetamide
CID 106366080
2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813756
N-[2-(chloromethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106365962
N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
CID 106366253
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 106366301
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)acetamide
CID 55084121
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide (CID 114179367) is N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)NC1CCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is FMILPAPKVGKXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/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-chlorophenyl)acetamide?
N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide has a molecular weight of 286.20 g/mol, XLogP of 3.41, 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-chlorophenyl)acetamide is sourced from PubChem (CID 114179367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).