3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide

C13H19FN2O — CID 43437024

IUPAC3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H19FN2O/c1-4-9(2)8-16(3)13(17)10-5-6-11(14)12(15)7-10/h5-7,9H,4,8,15H2,1-3H3
InChIKeyYXERDNWSCWTWKW-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.53
Rot. Bonds4

About 3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide

3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide (PubChem CID 43437024) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
PubChem CID43437024
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H19FN2O/c1-4-9(2)8-16(3)13(17)10-5-6-11(14)12(15)7-10/h5-7,9H,4,8,15H2,1-3H3
InChIKeyYXERDNWSCWTWKW-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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

3-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295327
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
CID 61107619
3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 54995378
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
N-methyl-N-(2-methylbutyl)-4-(propylamino)benzamide
CID 62170173
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295418
N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide
CID 62168801

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide (CID 43437024) is 3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide is CCC(C)CN(C)C(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide?
The InChIKey is YXERDNWSCWTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-9(2)8-16(3)13(17)10-5-6-11(14)12(15)7-10/h5-7,9H,4,8,15H2,1-3H3.
What are the key properties of 3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide?
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide has a molecular weight of 238.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 43437024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).