2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide

C18H23F4N3O2 — CID 71885532

IUPAC2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide
SMILESO=C(NCCCNC(=O)c1ccccc1F)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C18H23F4N3O2/c19-14-8-3-1-6-12(14)16(26)23-10-5-11-24-17(27)25-15-9-4-2-7-13(15)18(20,21)22/h1,3,6,8,13,15H,2,4-5,7,9-11H2,(H,23,26)(H2,24,25,27)
InChIKeyJBOUTWBMERPZJY-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.37
Rot. Bonds6

About 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide

2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide (PubChem CID 71885532) has the molecular formula C18H23F4N3O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide
PubChem CID71885532
Molecular FormulaC18H23F4N3O2
Molecular Weight389.39 g/mol
Exact Mass389.17
IUPAC Name2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide
SMILESO=C(NCCCNC(=O)c1ccccc1F)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C18H23F4N3O2/c19-14-8-3-1-6-12(14)16(26)23-10-5-11-24-17(27)25-15-9-4-2-7-13(15)18(20,21)22/h1,3,6,8,13,15H,2,4-5,7,9-11H2,(H,23,26)(H2,24,25,27)
InChIKeyJBOUTWBMERPZJY-UHFFFAOYSA-N
XLogP3.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide (CID 71885532) is 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide is O=C(NCCCNC(=O)c1ccccc1F)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide?
The InChIKey is JBOUTWBMERPZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F4N3O2/c19-14-8-3-1-6-12(14)16(26)23-10-5-11-24-17(27)25-15-9-4-2-7-13(15)18(20,21)22/h1,3,6,8,13,15H,2,4-5,7,9-11H2,(H,23,26)(H2,24,25,27).
What are the key properties of 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide?
2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide has a molecular weight of 389.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide is sourced from PubChem (CID 71885532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).