2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide

C14H21FN2O — CID 60939640

IUPAC2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
SMILESCC(N(C)C(=O)c1cc(F)ccc1N)C(C)(C)C
InChIInChI=1S/C14H21FN2O/c1-9(14(2,3)4)17(5)13(18)11-8-10(15)6-7-12(11)16/h6-9H,16H2,1-5H3
InChIKeyFFUBYNAXJUZAGB-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.91
Rot. Bonds2

About 2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide

2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide (PubChem CID 60939640) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
PubChem CID60939640
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
SMILESCC(N(C)C(=O)c1cc(F)ccc1N)C(C)(C)C
InChIInChI=1S/C14H21FN2O/c1-9(14(2,3)4)17(5)13(18)11-8-10(15)6-7-12(11)16/h6-9H,16H2,1-5H3
InChIKeyFFUBYNAXJUZAGB-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

2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
CID 61107619
5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 61106135
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
N-(3,3-dimethylbutan-2-yl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121896
2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
CID 62002165
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
CID 54979124
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876
2-amino-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510545
tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
CID 124608391

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide (CID 60939640) is 2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide is CC(N(C)C(=O)c1cc(F)ccc1N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide?
The InChIKey is FFUBYNAXJUZAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(14(2,3)4)17(5)13(18)11-8-10(15)6-7-12(11)16/h6-9H,16H2,1-5H3.
What are the key properties of 2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide?
2-amino-N-(3,3-dimethylbutan-2-yl)-5-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 2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 60939640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).