N-(3-chloropropyl)acetamide

C5H10ClNO — CID 3361051

IUPACN-(3-chloropropyl)acetamide
SMILESCC(=O)NCCCCl
InChIInChI=1S/C5H10ClNO/c1-5(8)7-4-2-3-6/h2-4H2,1H3,(H,7,8)
InChIKeyHDPXRRJHKUBNHX-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.75
Rot. Bonds3

About N-(3-chloropropyl)acetamide

N-(3-chloropropyl)acetamide (PubChem CID 3361051) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is N-(3-chloropropyl)acetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)acetamide
PubChem CID3361051
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC NameN-(3-chloropropyl)acetamide
SMILESCC(=O)NCCCCl
InChIInChI=1S/C5H10ClNO/c1-5(8)7-4-2-3-6/h2-4H2,1H3,(H,7,8)
InChIKeyHDPXRRJHKUBNHX-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)acetamide?
The IUPAC name of N-(3-chloropropyl)acetamide (CID 3361051) is N-(3-chloropropyl)acetamide.
What is the SMILES notation for N-(3-chloropropyl)acetamide?
The canonical SMILES for N-(3-chloropropyl)acetamide is CC(=O)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)acetamide?
The InChIKey is HDPXRRJHKUBNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO/c1-5(8)7-4-2-3-6/h2-4H2,1H3,(H,7,8).
What are the key properties of N-(3-chloropropyl)acetamide?
N-(3-chloropropyl)acetamide has a molecular weight of 135.59 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)acetamide is sourced from PubChem (CID 3361051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).