N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide

C18H20ClNO — CID 114303161

IUPACN-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1CCCC1Cl
InChIInChI=1S/C18H20ClNO/c19-17-10-4-8-15(17)12-20-18(21)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,17H,4,8,10-12H2,(H,20,21)
InChIKeyIVBUKOPQLKZRIL-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.91
Rot. Bonds4

About N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide

N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide (PubChem CID 114303161) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide
PubChem CID114303161
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1CCCC1Cl
InChIInChI=1S/C18H20ClNO/c19-17-10-4-8-15(17)12-20-18(21)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,17H,4,8,10-12H2,(H,20,21)
InChIKeyIVBUKOPQLKZRIL-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide (CID 114303161) is N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is IVBUKOPQLKZRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-17-10-4-8-15(17)12-20-18(21)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,17H,4,8,10-12H2,(H,20,21).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide?
N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 301.82 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 114303161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).