N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide

C20H31F2NO — CID 57218649

IUPACN-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide
SMILESCCCCCCCCCC(C)(C)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C20H31F2NO/c1-4-5-6-7-8-9-10-13-20(2,3)19(24)23-15-16-11-12-17(21)14-18(16)22/h11-12,14H,4-10,13,15H2,1-3H3,(H,23,24)
InChIKeyYNMXZGVLFQVNRH-UHFFFAOYSA-N
MW339.47 g/mol
LogP5.75
Rot. Bonds11

About N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide

N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide (PubChem CID 57218649) has the molecular formula C20H31F2NO and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide
PubChem CID57218649
Molecular FormulaC20H31F2NO
Molecular Weight339.47 g/mol
Exact Mass339.24
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide
SMILESCCCCCCCCCC(C)(C)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C20H31F2NO/c1-4-5-6-7-8-9-10-13-20(2,3)19(24)23-15-16-11-12-17(21)14-18(16)22/h11-12,14H,4-10,13,15H2,1-3H3,(H,23,24)
InChIKeyYNMXZGVLFQVNRH-UHFFFAOYSA-N
XLogP5.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.47
LogP ≤ 55.75
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-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide (CID 57218649) is N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide is CCCCCCCCCC(C)(C)C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide?
The InChIKey is YNMXZGVLFQVNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F2NO/c1-4-5-6-7-8-9-10-13-20(2,3)19(24)23-15-16-11-12-17(21)14-18(16)22/h11-12,14H,4-10,13,15H2,1-3H3,(H,23,24).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide?
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide has a molecular weight of 339.47 g/mol, XLogP of 5.75, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide is sourced from PubChem (CID 57218649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).