3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide

C15H13F3N2O — CID 43735711

IUPAC3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NCc1ccc(F)cc1F
InChIInChI=1S/C15H13F3N2O/c1-8-12(17)4-10(15(19)21)5-14(8)20-7-9-2-3-11(16)6-13(9)18/h2-6,20H,7H2,1H3,(H2,19,21)
InChIKeyZTANFFXCIBOGCY-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.12
Rot. Bonds4

About 3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide

3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide (PubChem CID 43735711) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
PubChem CID43735711
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NCc1ccc(F)cc1F
InChIInChI=1S/C15H13F3N2O/c1-8-12(17)4-10(15(19)21)5-14(8)20-7-9-2-3-11(16)6-13(9)18/h2-6,20H,7H2,1H3,(H2,19,21)
InChIKeyZTANFFXCIBOGCY-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115556847
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide
CID 63356572
3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
CID 71967989
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 60780936
4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide
CID 71876632
3-[(5-bromothiophen-3-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735810
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide (CID 43735711) is 3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NCc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is ZTANFFXCIBOGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-8-12(17)4-10(15(19)21)5-14(8)20-7-9-2-3-11(16)6-13(9)18/h2-6,20H,7H2,1H3,(H2,19,21).
What are the key properties of 3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide?
3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 294.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 43735711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).