3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide

C15H14F2N2O — CID 60862693

IUPAC3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NCc2ccccc2F)cc1F
InChIInChI=1S/C15H14F2N2O/c1-9-13(17)6-11(7-14(9)18)15(20)19-8-10-4-2-3-5-12(10)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyXQBUHFLDLIIUEL-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.79
Rot. Bonds3

About 3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide

3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide (PubChem CID 60862693) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
PubChem CID60862693
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NCc2ccccc2F)cc1F
InChIInChI=1S/C15H14F2N2O/c1-9-13(17)6-11(7-14(9)18)15(20)19-8-10-4-2-3-5-12(10)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyXQBUHFLDLIIUEL-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 61117318
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894540
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
3-amino-N-[(3-cyanophenyl)methyl]-5-fluoro-4-methylbenzamide
CID 61102742
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide (CID 60862693) is 3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide is Cc1c(N)cc(C(=O)NCc2ccccc2F)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide?
The InChIKey is XQBUHFLDLIIUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-9-13(17)6-11(7-14(9)18)15(20)19-8-10-4-2-3-5-12(10)16/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide?
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide has a molecular weight of 276.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 60862693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).