2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide

C18H17F5N2O — CID 134848567

IUPAC2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide
SMILESCCN(CC)c1cccc(C)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H17F5N2O/c1-4-25(5-2)10-8-6-7-9(3)11(10)18(26)24-17-15(22)13(20)12(19)14(21)16(17)23/h6-8H,4-5H2,1-3H3,(H,24,26)
InChIKeyBIUBQSCQGVGPQK-UHFFFAOYSA-N
MW372.34 g/mol
LogP4.79
Rot. Bonds5

About 2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide

2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide (PubChem CID 134848567) has the molecular formula C18H17F5N2O and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide.

Molecular Properties

Compound Name2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide
PubChem CID134848567
Molecular FormulaC18H17F5N2O
Molecular Weight372.34 g/mol
Exact Mass372.13
IUPAC Name2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide
SMILESCCN(CC)c1cccc(C)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H17F5N2O/c1-4-25(5-2)10-8-6-7-9(3)11(10)18(26)24-17-15(22)13(20)12(19)14(21)16(17)23/h6-8H,4-5H2,1-3H3,(H,24,26)
InChIKeyBIUBQSCQGVGPQK-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

lithium;2-(diethylamino)-6-methylbenzoic acid;diethylazanide;2,6-difluorobenzoic acid
CID 158181217
2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 135055453
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001652
3-(N-ethyl-2,3-dimethylanilino)propanoic acid
CID 82318760
N-(2-fluoro-3-methylphenyl)-3-hydroxybenzamide
CID 113368406
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
3-(2,6-dichlorophenyl)-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-4-carboxamide
CID 5070431
3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
CID 60571271
1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone
CID 60678476
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The IUPAC name of 2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide (CID 134848567) is 2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide.
What is the SMILES notation for 2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The canonical SMILES for 2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide is CCN(CC)c1cccc(C)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The InChIKey is BIUBQSCQGVGPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N2O/c1-4-25(5-2)10-8-6-7-9(3)11(10)18(26)24-17-15(22)13(20)12(19)14(21)16(17)23/h6-8H,4-5H2,1-3H3,(H,24,26).
What are the key properties of 2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide has a molecular weight of 372.34 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide is sourced from PubChem (CID 134848567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).