3-chloro-N-naphthalen-1-ylpropanamide

C13H12ClNO — CID 532063

IUPAC3-chloro-N-naphthalen-1-ylpropanamide
SMILESO=C(CCCl)Nc1cccc2ccccc12
InChIInChI=1S/C13H12ClNO/c14-9-8-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)
InChIKeyISEAPHXDUWABSS-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.41
Rot. Bonds3

About 3-chloro-N-naphthalen-1-ylpropanamide

3-chloro-N-naphthalen-1-ylpropanamide (PubChem CID 532063) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-chloro-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-chloro-N-naphthalen-1-ylpropanamide
PubChem CID532063
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name3-chloro-N-naphthalen-1-ylpropanamide
SMILESO=C(CCCl)Nc1cccc2ccccc12
InChIInChI=1S/C13H12ClNO/c14-9-8-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)
InChIKeyISEAPHXDUWABSS-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

Thionalide
CID 66733
N-2-Naphthalenylacetamide
CID 11394
Acetamide, N-1-naphthalenyl-
CID 68461
1-Naphthylurea
CID 81387
2',3'-Acetoxylidide
CID 8656
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
N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 795944
N-(2-Naphthyl)-3-oxobutanamide
CID 296093
N-(naphthalen-1-yl)propanamide
CID 307009
N-(2-Naphthyl)hexanamide
CID 588524

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-chloro-N-naphthalen-1-ylpropanamide (CID 532063) is 3-chloro-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-chloro-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-chloro-N-naphthalen-1-ylpropanamide is O=C(CCCl)Nc1cccc2ccccc12.
What is the InChIKey of 3-chloro-N-naphthalen-1-ylpropanamide?
The InChIKey is ISEAPHXDUWABSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-9-8-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16).
What are the key properties of 3-chloro-N-naphthalen-1-ylpropanamide?
3-chloro-N-naphthalen-1-ylpropanamide has a molecular weight of 233.70 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 532063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).