4-amino-2-(3-fluoro-5-methylanilino)benzamide

C14H14FN3O — CID 79048555

IUPAC4-amino-2-(3-fluoro-5-methylanilino)benzamide
SMILESCc1cc(F)cc(Nc2cc(N)ccc2C(N)=O)c1
InChIInChI=1S/C14H14FN3O/c1-8-4-9(15)6-11(5-8)18-13-7-10(16)2-3-12(13)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyZJJFLUHQGWPPDL-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.56
Rot. Bonds3

About 4-amino-2-(3-fluoro-5-methylanilino)benzamide

4-amino-2-(3-fluoro-5-methylanilino)benzamide (PubChem CID 79048555) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-amino-2-(3-fluoro-5-methylanilino)benzamide.

Molecular Properties

Compound Name4-amino-2-(3-fluoro-5-methylanilino)benzamide
PubChem CID79048555
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4-amino-2-(3-fluoro-5-methylanilino)benzamide
SMILESCc1cc(F)cc(Nc2cc(N)ccc2C(N)=O)c1
InChIInChI=1S/C14H14FN3O/c1-8-4-9(15)6-11(5-8)18-13-7-10(16)2-3-12(13)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyZJJFLUHQGWPPDL-UHFFFAOYSA-N
XLogP2.56
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-(3-fluoro-5-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-2-(3-bromo-5-methylanilino)benzoic acid
CID 107577656
4-amino-2-(2-bromo-5-fluoroanilino)benzamide
CID 107634543
4-chloro-2-(3-fluoro-5-methylanilino)benzenecarbothioamide
CID 79050119
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79048624
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
4-(3,5-dimethylanilino)-2,3-difluorobenzenecarbothioamide
CID 107934438
4-amino-2-(2-bromo-6-fluoroanilino)benzamide
CID 107596749
5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide
CID 107586461
1-N-(3,5-dimethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506548
4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
CID 113457683
3-bromo-4-(3-fluoro-5-methylanilino)benzenecarbothioamide
CID 82803841
3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine
CID 79048706

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-fluoro-5-methylanilino)benzamide?
The IUPAC name of 4-amino-2-(3-fluoro-5-methylanilino)benzamide (CID 79048555) is 4-amino-2-(3-fluoro-5-methylanilino)benzamide.
What is the SMILES notation for 4-amino-2-(3-fluoro-5-methylanilino)benzamide?
The canonical SMILES for 4-amino-2-(3-fluoro-5-methylanilino)benzamide is Cc1cc(F)cc(Nc2cc(N)ccc2C(N)=O)c1.
What is the InChIKey of 4-amino-2-(3-fluoro-5-methylanilino)benzamide?
The InChIKey is ZJJFLUHQGWPPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-4-9(15)6-11(5-8)18-13-7-10(16)2-3-12(13)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19).
What are the key properties of 4-amino-2-(3-fluoro-5-methylanilino)benzamide?
4-amino-2-(3-fluoro-5-methylanilino)benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-fluoro-5-methylanilino)benzamide is sourced from PubChem (CID 79048555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).