5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide

C15H23FN2O — CID 43587095

IUPAC5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H23FN2O/c1-4-11(5-2)10-18(6-3)15(19)13-9-12(17)7-8-14(13)16/h7-9,11H,4-6,10,17H2,1-3H3
InChIKeyDWZCUIHKZDHOAU-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.31
Rot. Bonds6

About 5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide

5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide (PubChem CID 43587095) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
PubChem CID43587095
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H23FN2O/c1-4-11(5-2)10-18(6-3)15(19)13-9-12(17)7-8-14(13)16/h7-9,11H,4-6,10,17H2,1-3H3
InChIKeyDWZCUIHKZDHOAU-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642
5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
CID 79478168
[2-(diethylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 61317153
5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide
CID 63500077
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 55041522
5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 61104994
5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
CID 103296632
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994795
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide?
The IUPAC name of 5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide (CID 43587095) is 5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide is CCC(CC)CN(CC)C(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide?
The InChIKey is DWZCUIHKZDHOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-11(5-2)10-18(6-3)15(19)13-9-12(17)7-8-14(13)16/h7-9,11H,4-6,10,17H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide?
5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide has a molecular weight of 266.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide is sourced from PubChem (CID 43587095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).