4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide

C16H18FN3O — CID 63358936

IUPAC4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide
SMILESCCNC(=O)c1ccc(N)c(N(C)c2cccc(F)c2)c1
InChIInChI=1S/C16H18FN3O/c1-3-19-16(21)11-7-8-14(18)15(9-11)20(2)13-6-4-5-12(17)10-13/h4-10H,3,18H2,1-2H3,(H,19,21)
InChIKeyKJZYMYMMVNOVTE-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.93
Rot. Bonds4

About 4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide

4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide (PubChem CID 63358936) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide
PubChem CID63358936
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide
SMILESCCNC(=O)c1ccc(N)c(N(C)c2cccc(F)c2)c1
InChIInChI=1S/C16H18FN3O/c1-3-19-16(21)11-7-8-14(18)15(9-11)20(2)13-6-4-5-12(17)10-13/h4-10H,3,18H2,1-2H3,(H,19,21)
InChIKeyKJZYMYMMVNOVTE-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'}

Analyze 4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide
CID 63357483
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-ethylbenzamide
CID 55225782
2-[2-amino-5-(ethylcarbamoyl)-N-methylanilino]acetic acid
CID 55188575
4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360740
4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide
CID 63357313
4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
CID 55190535
4-amino-3-[2-cyanoethyl(methyl)amino]-N-ethylbenzamide
CID 55190898
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693
4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
CID 55190897
3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide
CID 82990957
4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide
CID 107655446

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide (CID 63358936) is 4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide is CCNC(=O)c1ccc(N)c(N(C)c2cccc(F)c2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide?
The InChIKey is KJZYMYMMVNOVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-19-16(21)11-7-8-14(18)15(9-11)20(2)13-6-4-5-12(17)10-13/h4-10H,3,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide?
4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide 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-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide is sourced from PubChem (CID 63358936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).