4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide

C16H18FN3O — CID 63357483

IUPAC4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide
SMILESCCN(c1cccc(F)c1)c1cc(C(=O)NC)ccc1N
InChIInChI=1S/C16H18FN3O/c1-3-20(13-6-4-5-12(17)10-13)15-9-11(16(21)19-2)7-8-14(15)18/h4-10H,3,18H2,1-2H3,(H,19,21)
InChIKeyJIGHDCZHHZIWLX-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.93
Rot. Bonds4

About 4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide

4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide (PubChem CID 63357483) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide
PubChem CID63357483
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide
SMILESCCN(c1cccc(F)c1)c1cc(C(=O)NC)ccc1N
InChIInChI=1S/C16H18FN3O/c1-3-20(13-6-4-5-12(17)10-13)15-9-11(16(21)19-2)7-8-14(15)18/h4-10H,3,18H2,1-2H3,(H,19,21)
InChIKeyJIGHDCZHHZIWLX-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.93
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

4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide
CID 63358936
4-amino-3-(N-ethyl-3-methylanilino)benzamide
CID 63355886
4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide
CID 63357313
4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide
CID 63357385
4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357263
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
CID 107397106
6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
CID 115474017
2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide
CID 115992583
4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide
CID 63357203
3-bromo-4-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
CID 82787536
5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
CID 63584129
3-amino-4-(N-ethyl-3-methylanilino)benzamide
CID 61076216

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide (CID 63357483) is 4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide is CCN(c1cccc(F)c1)c1cc(C(=O)NC)ccc1N.
What is the InChIKey of 4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide?
The InChIKey is JIGHDCZHHZIWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-20(13-6-4-5-12(17)10-13)15-9-11(16(21)19-2)7-8-14(15)18/h4-10H,3,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide?
4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide has a molecular weight of 287.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide is sourced from PubChem (CID 63357483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).