2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide

C20H29F4NO — CID 91731393

IUPAC2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide
SMILESCCCCCCCN(CCCCC)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C20H29F4NO/c1-3-5-7-8-10-15-25(14-9-6-4-2)19(26)16-12-11-13-17(18(16)21)20(22,23)24/h11-13H,3-10,14-15H2,1-2H3
InChIKeyORJAYIOWISLTOT-UHFFFAOYSA-N
MW375.45 g/mol
LogP6.45
Rot. Bonds11

About 2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide

2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide (PubChem CID 91731393) has the molecular formula C20H29F4NO and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide
PubChem CID91731393
Molecular FormulaC20H29F4NO
Molecular Weight375.45 g/mol
Exact Mass375.22
IUPAC Name2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide
SMILESCCCCCCCN(CCCCC)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C20H29F4NO/c1-3-5-7-8-10-15-25(14-9-6-4-2)19(26)16-12-11-13-17(18(16)21)20(22,23)24/h11-13H,3-10,14-15H2,1-2H3
InChIKeyORJAYIOWISLTOT-UHFFFAOYSA-N
XLogP6.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide
CID 91731414
tridecyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 91731222
2,3,4-trifluoro-N-heptyl-N-octylbenzamide
CID 533120
tridecan-5-yl 2-fluoro-3-(trifluoromethyl)benzoate
CID 91731130
pentadecan-5-yl 2-fluoro-3-(trifluoromethyl)benzoate
CID 91731280
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
2-methyl-N,N-dipentylbenzamide
CID 4576290
N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 112701403
2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide
CID 112698072
N-butyl-3-chloro-N-(2-chloroethyl)-2-fluorobenzamide
CID 81262386
N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide
CID 80656669

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide (CID 91731393) is 2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide is CCCCCCCN(CCCCC)C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide?
The InChIKey is ORJAYIOWISLTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F4NO/c1-3-5-7-8-10-15-25(14-9-6-4-2)19(26)16-12-11-13-17(18(16)21)20(22,23)24/h11-13H,3-10,14-15H2,1-2H3.
What are the key properties of 2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide?
2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91731393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).