3,5-diamino-N-(3,5-difluorophenyl)benzamide

C13H11F2N3O — CID 61091904

IUPAC3,5-diamino-N-(3,5-difluorophenyl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H11F2N3O/c14-8-3-9(15)5-12(4-8)18-13(19)7-1-10(16)6-11(17)2-7/h1-6H,16-17H2,(H,18,19)
InChIKeyPSQYZFQLOGLDIT-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.38
Rot. Bonds2

About 3,5-diamino-N-(3,5-difluorophenyl)benzamide

3,5-diamino-N-(3,5-difluorophenyl)benzamide (PubChem CID 61091904) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 3,5-diamino-N-(3,5-difluorophenyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(3,5-difluorophenyl)benzamide
PubChem CID61091904
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3,5-diamino-N-(3,5-difluorophenyl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H11F2N3O/c14-8-3-9(15)5-12(4-8)18-13(19)7-1-10(16)6-11(17)2-7/h1-6H,16-17H2,(H,18,19)
InChIKeyPSQYZFQLOGLDIT-UHFFFAOYSA-N
XLogP2.38
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
N-(3-amino-5-fluorophenyl)-3-methylbenzamide
CID 107334074
N-(3-amino-5-fluorophenyl)-4-methoxybenzamide
CID 107333930
6-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154384
N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide
CID 25224306
3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051412
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836836
4-amino-N-(3,5-difluorophenyl)pyridine-2-carboxamide
CID 55041778

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(3,5-difluorophenyl)benzamide?
The IUPAC name of 3,5-diamino-N-(3,5-difluorophenyl)benzamide (CID 61091904) is 3,5-diamino-N-(3,5-difluorophenyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(3,5-difluorophenyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(3,5-difluorophenyl)benzamide is Nc1cc(N)cc(C(=O)Nc2cc(F)cc(F)c2)c1.
What is the InChIKey of 3,5-diamino-N-(3,5-difluorophenyl)benzamide?
The InChIKey is PSQYZFQLOGLDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-8-3-9(15)5-12(4-8)18-13(19)7-1-10(16)6-11(17)2-7/h1-6H,16-17H2,(H,18,19).
What are the key properties of 3,5-diamino-N-(3,5-difluorophenyl)benzamide?
3,5-diamino-N-(3,5-difluorophenyl)benzamide has a molecular weight of 263.25 g/mol, XLogP of 2.38, 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-(3,5-difluorophenyl)benzamide is sourced from PubChem (CID 61091904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).