2-chloro-2-naphthalen-1-yl-N-propylacetamide

C15H16ClNO — CID 62224763

IUPAC2-chloro-2-naphthalen-1-yl-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1cccc2ccccc12
InChIInChI=1S/C15H16ClNO/c1-2-10-17-15(18)14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10H2,1H3,(H,17,18)
InChIKeyUHKFKXQWAXCDOY-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.65
Rot. Bonds4

About 2-chloro-2-naphthalen-1-yl-N-propylacetamide

2-chloro-2-naphthalen-1-yl-N-propylacetamide (PubChem CID 62224763) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-chloro-2-naphthalen-1-yl-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-2-naphthalen-1-yl-N-propylacetamide
PubChem CID62224763
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-chloro-2-naphthalen-1-yl-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1cccc2ccccc12
InChIInChI=1S/C15H16ClNO/c1-2-10-17-15(18)14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10H2,1H3,(H,17,18)
InChIKeyUHKFKXQWAXCDOY-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.65
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

2-chloro-2-(2-methylphenyl)-N-propylacetamide
CID 62224578
2-chloro-2-naphthalen-1-ylacetyl chloride;methane
CID 174783201
2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide
CID 62226069
2-naphthalen-1-yl-2-(propylamino)acetamide
CID 60796538
2-chloro-N-ethyl-2-(2-methylphenyl)acetamide
CID 62225126
[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9396559
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
1-[(E)-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]-3-propylurea
CID 70834351
2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide
CID 118415065
2-naphthalen-1-ylpropanehydrazide
CID 116843953

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-naphthalen-1-yl-N-propylacetamide?
The IUPAC name of 2-chloro-2-naphthalen-1-yl-N-propylacetamide (CID 62224763) is 2-chloro-2-naphthalen-1-yl-N-propylacetamide.
What is the SMILES notation for 2-chloro-2-naphthalen-1-yl-N-propylacetamide?
The canonical SMILES for 2-chloro-2-naphthalen-1-yl-N-propylacetamide is CCCNC(=O)C(Cl)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-2-naphthalen-1-yl-N-propylacetamide?
The InChIKey is UHKFKXQWAXCDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-2-10-17-15(18)14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10H2,1H3,(H,17,18).
What are the key properties of 2-chloro-2-naphthalen-1-yl-N-propylacetamide?
2-chloro-2-naphthalen-1-yl-N-propylacetamide has a molecular weight of 261.75 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-naphthalen-1-yl-N-propylacetamide is sourced from PubChem (CID 62224763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).