4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide

C13H17FN2O2 — CID 103820438

IUPAC4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H17FN2O2/c1-9-8-10(14)4-5-11(9)13(18)16(3)7-6-12(17)15-2/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyJAGOGGFSMVILFM-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.34
Rot. Bonds4

About 4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide

4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 103820438) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID103820438
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H17FN2O2/c1-9-8-10(14)4-5-11(9)13(18)16(3)7-6-12(17)15-2/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyJAGOGGFSMVILFM-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

4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
CID 112702416
5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106917649
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
4-fluoro-2-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 113304528
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106916885
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 103820438) is 4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is JAGOGGFSMVILFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-8-10(14)4-5-11(9)13(18)16(3)7-6-12(17)15-2/h4-5,8H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide 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 4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 103820438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).