N-(4-chlorophenyl)tridecanamide

C19H30ClNO — CID 4195215

IUPACN-(4-chlorophenyl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H30ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-19(22)21-18-15-13-17(20)14-16-18/h13-16H,2-12H2,1H3,(H,21,22)
InChIKeyVKMYCVVXOMDWGS-UHFFFAOYSA-N
MW323.91 g/mol
LogP6.59
Rot. Bonds12

About N-(4-chlorophenyl)tridecanamide

N-(4-chlorophenyl)tridecanamide (PubChem CID 4195215) has the molecular formula C19H30ClNO and a molecular weight of 323.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)tridecanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)tridecanamide
PubChem CID4195215
Molecular FormulaC19H30ClNO
Molecular Weight323.91 g/mol
Exact Mass323.20
IUPAC NameN-(4-chlorophenyl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H30ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-19(22)21-18-15-13-17(20)14-16-18/h13-16H,2-12H2,1H3,(H,21,22)
InChIKeyVKMYCVVXOMDWGS-UHFFFAOYSA-N
XLogP6.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.91
LogP ≤ 56.59
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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Related Compounds

N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
1-(4-chlorophenyl)-3-(octanoylamino)urea
CID 4170220
N-[(4-chlorophenyl)carbamothioyl]octanamide
CID 4958861
N-[(4-chlorophenyl)carbamothioyl]heptanamide
CID 54789157
heptyl 5-(4-chloroanilino)-5-oxopentanoate
CID 91707630
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)tridecanamide?
The IUPAC name of N-(4-chlorophenyl)tridecanamide (CID 4195215) is N-(4-chlorophenyl)tridecanamide.
What is the SMILES notation for N-(4-chlorophenyl)tridecanamide?
The canonical SMILES for N-(4-chlorophenyl)tridecanamide is CCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)tridecanamide?
The InChIKey is VKMYCVVXOMDWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-19(22)21-18-15-13-17(20)14-16-18/h13-16H,2-12H2,1H3,(H,21,22).
What are the key properties of N-(4-chlorophenyl)tridecanamide?
N-(4-chlorophenyl)tridecanamide has a molecular weight of 323.91 g/mol, XLogP of 6.59, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)tridecanamide is sourced from PubChem (CID 4195215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).