2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide

C24H37F4NO — CID 91731414

IUPAC2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide
SMILESCCCCCCCCCCCN(CCCCC)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C24H37F4NO/c1-3-5-7-8-9-10-11-12-14-19-29(18-13-6-4-2)23(30)20-16-15-17-21(22(20)25)24(26,27)28/h15-17H,3-14,18-19H2,1-2H3
InChIKeyQZGGMJOWRMXGKM-UHFFFAOYSA-N
MW431.56 g/mol
LogP8.01
Rot. Bonds15

About 2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide

2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide (PubChem CID 91731414) has the molecular formula C24H37F4NO and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide
PubChem CID91731414
Molecular FormulaC24H37F4NO
Molecular Weight431.56 g/mol
Exact Mass431.28
IUPAC Name2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide
SMILESCCCCCCCCCCCN(CCCCC)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C24H37F4NO/c1-3-5-7-8-9-10-11-12-14-19-29(18-13-6-4-2)23(30)20-16-15-17-21(22(20)25)24(26,27)28/h15-17H,3-14,18-19H2,1-2H3
InChIKeyQZGGMJOWRMXGKM-UHFFFAOYSA-N
XLogP8.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 58.01
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-heptyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 91731393
tridecyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 91731222
2,3,4-trifluoro-N-heptyl-N-octylbenzamide
CID 533120
pentadecan-5-yl 2-fluoro-3-(trifluoromethyl)benzoate
CID 91731280
tridecan-5-yl 2-fluoro-3-(trifluoromethyl)benzoate
CID 91731130
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-pentyl-3-(trifluoromethyl)-N-undecylbenzamide?
The IUPAC name of 2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide (CID 91731414) is 2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide.
What is the SMILES notation for 2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide?
The canonical SMILES for 2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide is CCCCCCCCCCCN(CCCCC)C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide?
The InChIKey is QZGGMJOWRMXGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F4NO/c1-3-5-7-8-9-10-11-12-14-19-29(18-13-6-4-2)23(30)20-16-15-17-21(22(20)25)24(26,27)28/h15-17H,3-14,18-19H2,1-2H3.
What are the key properties of 2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide?
2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide has a molecular weight of 431.56 g/mol, XLogP of 8.01, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide is sourced from PubChem (CID 91731414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).