N-(3-chloropropyl)hexadecanamide

C19H38ClNO — CID 10925606

IUPACN-(3-chloropropyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCCCl
InChIInChI=1S/C19H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-18-15-17-20/h2-18H2,1H3,(H,21,22)
InChIKeyZVVFCIOJNGSNKW-UHFFFAOYSA-N
MW331.97 g/mol
LogP6.21
Rot. Bonds17

About N-(3-chloropropyl)hexadecanamide

N-(3-chloropropyl)hexadecanamide (PubChem CID 10925606) has the molecular formula C19H38ClNO and a molecular weight of 331.97 g/mol. Its IUPAC name is N-(3-chloropropyl)hexadecanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)hexadecanamide
PubChem CID10925606
Molecular FormulaC19H38ClNO
Molecular Weight331.97 g/mol
Exact Mass331.26
IUPAC NameN-(3-chloropropyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCCCl
InChIInChI=1S/C19H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-18-15-17-20/h2-18H2,1H3,(H,21,22)
InChIKeyZVVFCIOJNGSNKW-UHFFFAOYSA-N
XLogP6.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.97
LogP ≤ 56.21
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)hexadecanamide?
The IUPAC name of N-(3-chloropropyl)hexadecanamide (CID 10925606) is N-(3-chloropropyl)hexadecanamide.
What is the SMILES notation for N-(3-chloropropyl)hexadecanamide?
The canonical SMILES for N-(3-chloropropyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)hexadecanamide?
The InChIKey is ZVVFCIOJNGSNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-18-15-17-20/h2-18H2,1H3,(H,21,22).
What are the key properties of N-(3-chloropropyl)hexadecanamide?
N-(3-chloropropyl)hexadecanamide has a molecular weight of 331.97 g/mol, XLogP of 6.21, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)hexadecanamide is sourced from PubChem (CID 10925606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).