3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide

C16H18FN3O — CID 79041488

IUPAC3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2ccc(N(C)C)c(N)c2)c1
InChIInChI=1S/C16H18FN3O/c1-10-6-12(17)9-13(7-10)19-16(21)11-4-5-15(20(2)3)14(18)8-11/h4-9H,18H2,1-3H3,(H,19,21)
InChIKeyZWHJUMFKARMRRM-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.03
Rot. Bonds3

About 3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide

3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide (PubChem CID 79041488) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide
PubChem CID79041488
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2ccc(N(C)C)c(N)c2)c1
InChIInChI=1S/C16H18FN3O/c1-10-6-12(17)9-13(7-10)19-16(21)11-4-5-15(20(2)3)14(18)8-11/h4-9H,18H2,1-3H3,(H,19,21)
InChIKeyZWHJUMFKARMRRM-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.03
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-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide
CID 61091528
3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 61090939
3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
CID 50851045
3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide
CID 61092127
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
CID 61090837
3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
CID 107596229
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413
3-amino-4-(dimethylamino)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
CID 59202372
4-(chloromethyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055449
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 104616472

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide (CID 79041488) is 3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide is Cc1cc(F)cc(NC(=O)c2ccc(N(C)C)c(N)c2)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide?
The InChIKey is ZWHJUMFKARMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10-6-12(17)9-13(7-10)19-16(21)11-4-5-15(20(2)3)14(18)8-11/h4-9H,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide?
3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide has a molecular weight of 287.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 79041488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).