3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide

C14H14FN3O — CID 79049078

IUPAC3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2cc(N)cc(N)c2)c1
InChIInChI=1S/C14H14FN3O/c1-8-2-10(15)6-13(3-8)18-14(19)9-4-11(16)7-12(17)5-9/h2-7H,16-17H2,1H3,(H,18,19)
InChIKeyLUBDTJAATJOTDW-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.55
Rot. Bonds2

About 3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide

3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide (PubChem CID 79049078) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
PubChem CID79049078
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2cc(N)cc(N)c2)c1
InChIInChI=1S/C14H14FN3O/c1-8-2-10(15)6-13(3-8)18-14(19)9-4-11(16)7-12(17)5-9/h2-7H,16-17H2,1H3,(H,18,19)
InChIKeyLUBDTJAATJOTDW-UHFFFAOYSA-N
XLogP2.55
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-(3-fluoro-5-methylphenyl)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

3,5-diamino-N-(3,5-difluorophenyl)benzamide
CID 61091904
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
N-(3-amino-5-fluorophenyl)-3-methylbenzamide
CID 107334074
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79048624
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543
3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79041488
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
4-(chloromethyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055449
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide (CID 79049078) is 3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide is Cc1cc(F)cc(NC(=O)c2cc(N)cc(N)c2)c1.
What is the InChIKey of 3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide?
The InChIKey is LUBDTJAATJOTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-2-10(15)6-13(3-8)18-14(19)9-4-11(16)7-12(17)5-9/h2-7H,16-17H2,1H3,(H,18,19).
What are the key properties of 3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide?
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 79049078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).