2-chloro-N-naphthalen-1-ylpropanamide

C13H12ClNO — CID 532274

IUPAC2-chloro-N-naphthalen-1-ylpropanamide
SMILESCC(Cl)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C13H12ClNO/c1-9(14)13(16)15-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)
InChIKeyHZEXEFBFZFWVOD-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.41
Rot. Bonds2

About 2-chloro-N-naphthalen-1-ylpropanamide

2-chloro-N-naphthalen-1-ylpropanamide (PubChem CID 532274) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-chloro-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-chloro-N-naphthalen-1-ylpropanamide
PubChem CID532274
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-chloro-N-naphthalen-1-ylpropanamide
SMILESCC(Cl)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C13H12ClNO/c1-9(14)13(16)15-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)
InChIKeyHZEXEFBFZFWVOD-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
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-Naphthalenylacetamide
CID 11394
Acetamide, N-1-naphthalenyl-
CID 68461
2',3'-Acetoxylidide
CID 8656
Acetamide, 2-chloro-N-(2-methylphenyl)-
CID 101479
2-chloro-N-(3-methylphenyl)acetamide
CID 296325
N-(1-Naphthyl)hexanamide
CID 532117
N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 299693
Acetamide, N-(1-naphthyl)-2-methoxy-
CID 532088
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2305716
N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 795944
N-(2-Naphthyl)-3-oxobutanamide
CID 296093
N-(naphthalen-1-yl)propanamide
CID 307009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-chloro-N-naphthalen-1-ylpropanamide (CID 532274) is 2-chloro-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-chloro-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-chloro-N-naphthalen-1-ylpropanamide is CC(Cl)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-chloro-N-naphthalen-1-ylpropanamide?
The InChIKey is HZEXEFBFZFWVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9(14)13(16)15-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-naphthalen-1-ylpropanamide?
2-chloro-N-naphthalen-1-ylpropanamide has a molecular weight of 233.70 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 532274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).