2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide

C13H19FN2O — CID 43274590

IUPAC2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O/c1-4-9(3)16(5-2)13(17)11-8-10(14)6-7-12(11)15/h6-9H,4-5,15H2,1-3H3
InChIKeyCYSLULGXSXFMJA-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.67
Rot. Bonds4

About 2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide

2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide (PubChem CID 43274590) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
PubChem CID43274590
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O/c1-4-9(3)16(5-2)13(17)11-8-10(14)6-7-12(11)15/h6-9H,4-5,15H2,1-3H3
InChIKeyCYSLULGXSXFMJA-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.67
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

2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061
2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 54905690
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide (CID 43274590) is 2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide is CCC(C)N(CC)C(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide?
The InChIKey is CYSLULGXSXFMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-9(3)16(5-2)13(17)11-8-10(14)6-7-12(11)15/h6-9H,4-5,15H2,1-3H3.
What are the key properties of 2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide?
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide has a molecular weight of 238.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide is sourced from PubChem (CID 43274590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).