N-(2-chlorophenyl)tetradecanamide

C20H32ClNO — CID 3629784

IUPACN-(2-chlorophenyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H32ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-17-20(23)22-19-16-14-13-15-18(19)21/h13-16H,2-12,17H2,1H3,(H,22,23)
InChIKeySCXQDRSSLHHGGN-UHFFFAOYSA-N
MW337.94 g/mol
LogP6.98
Rot. Bonds13

About N-(2-chlorophenyl)tetradecanamide

N-(2-chlorophenyl)tetradecanamide (PubChem CID 3629784) has the molecular formula C20H32ClNO and a molecular weight of 337.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)tetradecanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)tetradecanamide
PubChem CID3629784
Molecular FormulaC20H32ClNO
Molecular Weight337.94 g/mol
Exact Mass337.22
IUPAC NameN-(2-chlorophenyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H32ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-17-20(23)22-19-16-14-13-15-18(19)21/h13-16H,2-12,17H2,1H3,(H,22,23)
InChIKeySCXQDRSSLHHGGN-UHFFFAOYSA-N
XLogP6.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.94
LogP ≤ 56.98
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-(2-chlorophenyl)tetradecanamide?
The IUPAC name of N-(2-chlorophenyl)tetradecanamide (CID 3629784) is N-(2-chlorophenyl)tetradecanamide.
What is the SMILES notation for N-(2-chlorophenyl)tetradecanamide?
The canonical SMILES for N-(2-chlorophenyl)tetradecanamide is CCCCCCCCCCCCCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)tetradecanamide?
The InChIKey is SCXQDRSSLHHGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-17-20(23)22-19-16-14-13-15-18(19)21/h13-16H,2-12,17H2,1H3,(H,22,23).
What are the key properties of N-(2-chlorophenyl)tetradecanamide?
N-(2-chlorophenyl)tetradecanamide has a molecular weight of 337.94 g/mol, XLogP of 6.98, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)tetradecanamide is sourced from PubChem (CID 3629784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).