3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide

C14H21FN2O — CID 61107619

IUPAC3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
SMILESCC(N(C)C(=O)c1ccc(F)c(N)c1)C(C)(C)C
InChIInChI=1S/C14H21FN2O/c1-9(14(2,3)4)17(5)13(18)10-6-7-11(15)12(16)8-10/h6-9H,16H2,1-5H3
InChIKeyWOEOGBDJBMABEY-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.91
Rot. Bonds2

About 3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide

3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide (PubChem CID 61107619) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
PubChem CID61107619
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
SMILESCC(N(C)C(=O)c1ccc(F)c(N)c1)C(C)(C)C
InChIInChI=1S/C14H21FN2O/c1-9(14(2,3)4)17(5)13(18)10-6-7-11(15)12(16)8-10/h6-9H,16H2,1-5H3
InChIKeyWOEOGBDJBMABEY-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.91
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

4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 55091096
N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide
CID 104938816
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001591
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide
CID 42951899
3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
CID 64568397

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide (CID 61107619) is 3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide is CC(N(C)C(=O)c1ccc(F)c(N)c1)C(C)(C)C.
What is the InChIKey of 3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide?
The InChIKey is WOEOGBDJBMABEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(14(2,3)4)17(5)13(18)10-6-7-11(15)12(16)8-10/h6-9H,16H2,1-5H3.
What are the key properties of 3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide?
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 61107619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).