4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide

C15H14F2N2O — CID 166873038

IUPAC4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
SMILESCc1ccc(Nc2c(C(N)=O)ccc(F)c2C)c(F)c1
InChIInChI=1S/C15H14F2N2O/c1-8-3-6-13(12(17)7-8)19-14-9(2)11(16)5-4-10(14)15(18)20/h3-7,19H,1-2H3,(H2,18,20)
InChIKeyKDBMWULESWZUFT-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.42
Rot. Bonds3

About 4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide

4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide (PubChem CID 166873038) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
PubChem CID166873038
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
SMILESCc1ccc(Nc2c(C(N)=O)ccc(F)c2C)c(F)c1
InChIInChI=1S/C15H14F2N2O/c1-8-3-6-13(12(17)7-8)19-14-9(2)11(16)5-4-10(14)15(18)20/h3-7,19H,1-2H3,(H2,18,20)
InChIKeyKDBMWULESWZUFT-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane
CID 143173019
5-chloro-2-(2-fluoro-4-methylanilino)benzenecarbothioamide
CID 63518880
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide
CID 163632738
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
ethane;3,4,5-trifluoro-2-(2-fluoro-4-methylanilino)benzoic acid
CID 142108942
3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-prop-1-ynylbenzamide
CID 176938942

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide?
The IUPAC name of 4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide (CID 166873038) is 4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide?
The canonical SMILES for 4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide is Cc1ccc(Nc2c(C(N)=O)ccc(F)c2C)c(F)c1.
What is the InChIKey of 4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide?
The InChIKey is KDBMWULESWZUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-8-3-6-13(12(17)7-8)19-14-9(2)11(16)5-4-10(14)15(18)20/h3-7,19H,1-2H3,(H2,18,20).
What are the key properties of 4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide?
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide has a molecular weight of 276.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide is sourced from PubChem (CID 166873038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).