N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide

C13H17FN2O2 — CID 55218765

IUPACN-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H17FN2O2/c1-4-15-12(17)8-16(3)13(18)10-5-6-11(14)9(2)7-10/h5-7H,4,8H2,1-3H3,(H,15,17)
InChIKeyMLKMUWDEEUTJBO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.34
Rot. Bonds4

About N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide

N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide (PubChem CID 55218765) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide
PubChem CID55218765
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H17FN2O2/c1-4-15-12(17)8-16(3)13(18)10-5-6-11(14)9(2)7-10/h5-7H,4,8H2,1-3H3,(H,15,17)
InChIKeyMLKMUWDEEUTJBO-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-fluoro-N,4-dimethylbenzamide
CID 61116787
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 82113156
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
N-ethyl-4-fluoro-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63212665
4-fluoro-N,3-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722238
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide (CID 55218765) is N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide is CCNC(=O)CN(C)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide?
The InChIKey is MLKMUWDEEUTJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-4-15-12(17)8-16(3)13(18)10-5-6-11(14)9(2)7-10/h5-7H,4,8H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide?
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 55218765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).