3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide

C15H24FN3O — CID 61476608

IUPAC3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NC(CN(C)C)C(C)C)cc1F
InChIInChI=1S/C15H24FN3O/c1-9(2)14(8-19(4)5)18-15(20)11-6-12(16)10(3)13(17)7-11/h6-7,9,14H,8,17H2,1-5H3,(H,18,20)
InChIKeyACLIGUUQYINILB-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.03
Rot. Bonds5

About 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide

3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide (PubChem CID 61476608) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide
PubChem CID61476608
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NC(CN(C)C)C(C)C)cc1F
InChIInChI=1S/C15H24FN3O/c1-9(2)14(8-19(4)5)18-15(20)11-6-12(16)10(3)13(17)7-11/h6-7,9,14H,8,17H2,1-5H3,(H,18,20)
InChIKeyACLIGUUQYINILB-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-fluoro-4-methylbenzamide
CID 106343679
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide
CID 55163659
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-fluoro-4-methylbenzamide
CID 60860693
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
CID 61476191
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
CID 55082851
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
3-amino-5-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzamide
CID 107861714
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
CID 55041620
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide
CID 103957072
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
N-(1-chloro-3-methylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113273517

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide (CID 61476608) is 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)NC(CN(C)C)C(C)C)cc1F.
What is the InChIKey of 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide?
The InChIKey is ACLIGUUQYINILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-9(2)14(8-19(4)5)18-15(20)11-6-12(16)10(3)13(17)7-11/h6-7,9,14H,8,17H2,1-5H3,(H,18,20).
What are the key properties of 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide?
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide has a molecular weight of 281.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 61476608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).