3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide

C16H18FN3O — CID 82993340

IUPAC3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide
SMILESCCNC(=O)c1ccc(Nc2ccc(F)cc2C)c(N)c1
InChIInChI=1S/C16H18FN3O/c1-3-19-16(21)11-4-6-15(13(18)9-11)20-14-7-5-12(17)8-10(14)2/h4-9,20H,3,18H2,1-2H3,(H,19,21)
InChIKeyVIEUPAAIFXNAOY-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.21
Rot. Bonds4

About 3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide

3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide (PubChem CID 82993340) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide
PubChem CID82993340
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide
SMILESCCNC(=O)c1ccc(Nc2ccc(F)cc2C)c(N)c1
InChIInChI=1S/C16H18FN3O/c1-3-19-16(21)11-4-6-15(13(18)9-11)20-14-7-5-12(17)8-10(14)2/h4-9,20H,3,18H2,1-2H3,(H,19,21)
InChIKeyVIEUPAAIFXNAOY-UHFFFAOYSA-N
XLogP3.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-ethyl-4-(4-fluoro-2-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

3-amino-4-(4-fluoro-2-methylanilino)benzoic acid
CID 54888083
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide
CID 82990983
4-amino-3-(2-chloro-5-fluoroanilino)-N-ethylbenzamide
CID 107526839
3-amino-4-(3-bromo-2-methylanilino)-N-ethylbenzamide
CID 107633752
4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide
CID 107634456
3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide
CID 107596572
3-amino-4-(2,5-dimethylanilino)-N-propylbenzamide
CID 100624447
4-amino-3-(3,5-difluoroanilino)-N-ethylbenzamide
CID 63361087
4-bromo-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 29067383
3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide
CID 107634382
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide (CID 82993340) is 3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide is CCNC(=O)c1ccc(Nc2ccc(F)cc2C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide?
The InChIKey is VIEUPAAIFXNAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-19-16(21)11-4-6-15(13(18)9-11)20-14-7-5-12(17)8-10(14)2/h4-9,20H,3,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide?
3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide has a molecular weight of 287.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide is sourced from PubChem (CID 82993340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).