2,5-difluoro-N-undecylbenzamide

C18H27F2NO — CID 91717430

IUPAC2,5-difluoro-N-undecylbenzamide
SMILESCCCCCCCCCCCNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H27F2NO/c1-2-3-4-5-6-7-8-9-10-13-21-18(22)16-14-15(19)11-12-17(16)20/h11-12,14H,2-10,13H2,1H3,(H,21,22)
InChIKeyWQANEXWCWSDWQS-UHFFFAOYSA-N
MW311.42 g/mol
LogP5.23
Rot. Bonds11

About 2,5-difluoro-N-undecylbenzamide

2,5-difluoro-N-undecylbenzamide (PubChem CID 91717430) has the molecular formula C18H27F2NO and a molecular weight of 311.42 g/mol. Its IUPAC name is 2,5-difluoro-N-undecylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-undecylbenzamide
PubChem CID91717430
Molecular FormulaC18H27F2NO
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name2,5-difluoro-N-undecylbenzamide
SMILESCCCCCCCCCCCNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H27F2NO/c1-2-3-4-5-6-7-8-9-10-13-21-18(22)16-14-15(19)11-12-17(16)20/h11-12,14H,2-10,13H2,1H3,(H,21,22)
InChIKeyWQANEXWCWSDWQS-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,5-difluoro-N-undecylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
2,5-difluoro-N-(4-iodobutyl)benzamide
CID 106846072
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
N-decyl-5-fluoro-2-(trifluoromethyl)benzamide
CID 91731309
N-(3-chloropropyl)-2,5-difluorobenzamide
CID 43133472
2,5-difluoro-N-(3-iodopropyl)benzamide
CID 114504363
5-fluoro-N-hexyl-2-nitrobenzamide
CID 61041520
3-fluoro-N-octadecylbenzamide
CID 91711883
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
2,3-difluoro-N-pentylbenzamide
CID 62649821

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-undecylbenzamide?
The IUPAC name of 2,5-difluoro-N-undecylbenzamide (CID 91717430) is 2,5-difluoro-N-undecylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-undecylbenzamide?
The canonical SMILES for 2,5-difluoro-N-undecylbenzamide is CCCCCCCCCCCNC(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-undecylbenzamide?
The InChIKey is WQANEXWCWSDWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2NO/c1-2-3-4-5-6-7-8-9-10-13-21-18(22)16-14-15(19)11-12-17(16)20/h11-12,14H,2-10,13H2,1H3,(H,21,22).
What are the key properties of 2,5-difluoro-N-undecylbenzamide?
2,5-difluoro-N-undecylbenzamide has a molecular weight of 311.42 g/mol, XLogP of 5.23, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-undecylbenzamide is sourced from PubChem (CID 91717430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).