2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide

C17H18ClNO — CID 53416906

IUPAC2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide
SMILESO=C(CCl)N(CC1CCC1)c1cccc2ccccc12
InChIInChI=1S/C17H18ClNO/c18-11-17(20)19(12-13-5-3-6-13)16-10-4-8-14-7-1-2-9-15(14)16/h1-2,4,7-10,13H,3,5-6,11-12H2
InChIKeyPSUNDLVQRXBSDR-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.21
Rot. Bonds4

About 2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide

2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide (PubChem CID 53416906) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide
PubChem CID53416906
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide
SMILESO=C(CCl)N(CC1CCC1)c1cccc2ccccc12
InChIInChI=1S/C17H18ClNO/c18-11-17(20)19(12-13-5-3-6-13)16-10-4-8-14-7-1-2-9-15(14)16/h1-2,4,7-10,13H,3,5-6,11-12H2
InChIKeyPSUNDLVQRXBSDR-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.21
H-Bond Donors ≤ 50
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 2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide (CID 53416906) is 2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide is O=C(CCl)N(CC1CCC1)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide?
The InChIKey is PSUNDLVQRXBSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-11-17(20)19(12-13-5-3-6-13)16-10-4-8-14-7-1-2-9-15(14)16/h1-2,4,7-10,13H,3,5-6,11-12H2.
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide?
2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide has a molecular weight of 287.79 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 53416906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).