3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide

C14H12F3N3 — CID 81293537

IUPAC3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(C)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C14H12F3N3/c1-20(10-4-2-3-9(15)7-10)13-11(16)5-8(14(18)19)6-12(13)17/h2-7H,1H3,(H3,18,19)
InChIKeyZPWUIGBTOCMRQJ-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.16
Rot. Bonds3

About 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide

3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide (PubChem CID 81293537) has the molecular formula C14H12F3N3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide
PubChem CID81293537
Molecular FormulaC14H12F3N3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(C)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C14H12F3N3/c1-20(10-4-2-3-9(15)7-10)13-11(16)5-8(14(18)19)6-12(13)17/h2-7H,1H3,(H3,18,19)
InChIKeyZPWUIGBTOCMRQJ-UHFFFAOYSA-N
XLogP3.16
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide 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-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752734
(2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide
CID 89228433
4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
CID 63075774
3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 62970652
4-(dimethylamino)-3-fluorobenzenecarboximidamide
CID 43658256
4-[benzyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285393
4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285682
4-[cyclopropyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81294570
3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide
CID 62971035
3-fluoro-N,N-dimethylaniline;methane
CID 157466440

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide (CID 81293537) is 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N(C)c2cccc(F)c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide?
The InChIKey is ZPWUIGBTOCMRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3/c1-20(10-4-2-3-9(15)7-10)13-11(16)5-8(14(18)19)6-12(13)17/h2-7H,1H3,(H3,18,19).
What are the key properties of 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide?
3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide has a molecular weight of 279.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide is sourced from PubChem (CID 81293537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).