5-acetamido-2-fluoro-N-nonylbenzamide

C18H27FN2O2 — CID 60568638

IUPAC5-acetamido-2-fluoro-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1cc(NC(C)=O)ccc1F
InChIInChI=1S/C18H27FN2O2/c1-3-4-5-6-7-8-9-12-20-18(23)16-13-15(21-14(2)22)10-11-17(16)19/h10-11,13H,3-9,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDIKFOIHRTLGQHS-UHFFFAOYSA-N
MW322.42 g/mol
LogP4.26
Rot. Bonds10

About 5-acetamido-2-fluoro-N-nonylbenzamide

5-acetamido-2-fluoro-N-nonylbenzamide (PubChem CID 60568638) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-nonylbenzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-nonylbenzamide
PubChem CID60568638
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name5-acetamido-2-fluoro-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1cc(NC(C)=O)ccc1F
InChIInChI=1S/C18H27FN2O2/c1-3-4-5-6-7-8-9-12-20-18(23)16-13-15(21-14(2)22)10-11-17(16)19/h10-11,13H,3-9,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDIKFOIHRTLGQHS-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-acetamido-2-fluoro-N-nonylbenzamide 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
2,5-difluoro-N-undecylbenzamide
CID 91717430
2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391077
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
2,3-difluoro-N-pentylbenzamide
CID 62649821
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
3,4-difluoro-N-heptylbenzamide
CID 91717416
N'-(3,4-difluorophenyl)-N-pentylpropanediamide
CID 108951995
3,5-diacetamido-N-pentylbenzamide
CID 18108250
5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445288

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-nonylbenzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-nonylbenzamide (CID 60568638) is 5-acetamido-2-fluoro-N-nonylbenzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-nonylbenzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-nonylbenzamide is CCCCCCCCCNC(=O)c1cc(NC(C)=O)ccc1F.
What is the InChIKey of 5-acetamido-2-fluoro-N-nonylbenzamide?
The InChIKey is DIKFOIHRTLGQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-3-4-5-6-7-8-9-12-20-18(23)16-13-15(21-14(2)22)10-11-17(16)19/h10-11,13H,3-9,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 5-acetamido-2-fluoro-N-nonylbenzamide?
5-acetamido-2-fluoro-N-nonylbenzamide has a molecular weight of 322.42 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-nonylbenzamide is sourced from PubChem (CID 60568638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).