N-(4-chloro-2-fluorophenyl)dodecanamide

C18H27ClFNO — CID 4598315

IUPACN-(4-chloro-2-fluorophenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H27ClFNO/c1-2-3-4-5-6-7-8-9-10-11-18(22)21-17-13-12-15(19)14-16(17)20/h12-14H,2-11H2,1H3,(H,21,22)
InChIKeyQXKRJBJCPUUXFL-UHFFFAOYSA-N
MW327.87 g/mol
LogP6.34
Rot. Bonds11

About N-(4-chloro-2-fluorophenyl)dodecanamide

N-(4-chloro-2-fluorophenyl)dodecanamide (PubChem CID 4598315) has the molecular formula C18H27ClFNO and a molecular weight of 327.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)dodecanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)dodecanamide
PubChem CID4598315
Molecular FormulaC18H27ClFNO
Molecular Weight327.87 g/mol
Exact Mass327.18
IUPAC NameN-(4-chloro-2-fluorophenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H27ClFNO/c1-2-3-4-5-6-7-8-9-10-11-18(22)21-17-13-12-15(19)14-16(17)20/h12-14H,2-11H2,1H3,(H,21,22)
InChIKeyQXKRJBJCPUUXFL-UHFFFAOYSA-N
XLogP6.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.87
LogP ≤ 56.34
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-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)dodecanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)dodecanamide (CID 4598315) is N-(4-chloro-2-fluorophenyl)dodecanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)dodecanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)dodecanamide is CCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)dodecanamide?
The InChIKey is QXKRJBJCPUUXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFNO/c1-2-3-4-5-6-7-8-9-10-11-18(22)21-17-13-12-15(19)14-16(17)20/h12-14H,2-11H2,1H3,(H,21,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)dodecanamide?
N-(4-chloro-2-fluorophenyl)dodecanamide has a molecular weight of 327.87 g/mol, XLogP of 6.34, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)dodecanamide is sourced from PubChem (CID 4598315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).