N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide

C17H17FN2O2 — CID 7936791

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C17H17FN2O2/c1-12-5-3-6-13(9-12)17(22)20(2)11-16(21)19-15-8-4-7-14(18)10-15/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyLTNFFRBVMYGEHF-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.84
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide (PubChem CID 7936791) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
PubChem CID7936791
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C17H17FN2O2/c1-12-5-3-6-13(9-12)17(22)20(2)11-16(21)19-15-8-4-7-14(18)10-15/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyLTNFFRBVMYGEHF-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9439272
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
CID 8621107
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439699
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide (CID 7936791) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide?
The InChIKey is LTNFFRBVMYGEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-5-3-6-13(9-12)17(22)20(2)11-16(21)19-15-8-4-7-14(18)10-15/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide has a molecular weight of 300.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 7936791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).