N-[(4-chlorophenyl)methyl]hexadecanamide

C23H38ClNO — CID 71770310

IUPACN-[(4-chlorophenyl)methyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(26)25-20-21-16-18-22(24)19-17-21/h16-19H,2-15,20H2,1H3,(H,25,26)
InChIKeyMJCZNJOEMYOWQI-UHFFFAOYSA-N
MW380.02 g/mol
LogP7.44
Rot. Bonds16

About N-[(4-chlorophenyl)methyl]hexadecanamide

N-[(4-chlorophenyl)methyl]hexadecanamide (PubChem CID 71770310) has the molecular formula C23H38ClNO and a molecular weight of 380.02 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]hexadecanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]hexadecanamide
PubChem CID71770310
Molecular FormulaC23H38ClNO
Molecular Weight380.02 g/mol
Exact Mass379.26
IUPAC NameN-[(4-chlorophenyl)methyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(26)25-20-21-16-18-22(24)19-17-21/h16-19H,2-15,20H2,1H3,(H,25,26)
InChIKeyMJCZNJOEMYOWQI-UHFFFAOYSA-N
XLogP7.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.02
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]hexadecanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]hexadecanamide (CID 71770310) is N-[(4-chlorophenyl)methyl]hexadecanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]hexadecanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]hexadecanamide?
The InChIKey is MJCZNJOEMYOWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(26)25-20-21-16-18-22(24)19-17-21/h16-19H,2-15,20H2,1H3,(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]hexadecanamide?
N-[(4-chlorophenyl)methyl]hexadecanamide has a molecular weight of 380.02 g/mol, XLogP of 7.44, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]hexadecanamide is sourced from PubChem (CID 71770310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).