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'}

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Related Compounds

2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 60722477
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide
CID 47985502
2-fluoro-N-[3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propyl]benzamide
CID 47987463
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]urea
CID 97014256
2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide
CID 103856998
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929

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).