1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide

C19H19F3N2O2 — CID 109056346

IUPAC1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H19F3N2O2/c1-2-3-4-10-23-18(25)12-6-5-7-13(11-12)19(26)24-15-9-8-14(20)16(21)17(15)22/h5-9,11H,2-4,10H2,1H3,(H,23,25)(H,24,26)
InChIKeySFKOYZULZVKPGY-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.28
Rot. Bonds7

About 1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide

1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109056346) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109056346
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H19F3N2O2/c1-2-3-4-10-23-18(25)12-6-5-7-13(11-12)19(26)24-15-9-8-14(20)16(21)17(15)22/h5-9,11H,2-4,10H2,1H3,(H,23,25)(H,24,26)
InChIKeySFKOYZULZVKPGY-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055931
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109101322
2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide
CID 109094379
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226
3-fluoro-N-octadecylbenzamide
CID 91711883
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
2,3-difluoro-N-pentylbenzamide
CID 62649821
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073
3,4-difluoro-N-heptylbenzamide
CID 91717416

Frequently Asked Questions

What is the IUPAC name of 1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide (CID 109056346) is 1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide is CCCCCNC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is SFKOYZULZVKPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-2-3-4-10-23-18(25)12-6-5-7-13(11-12)19(26)24-15-9-8-14(20)16(21)17(15)22/h5-9,11H,2-4,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 364.37 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).