4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

C15H21FN2O2 — CID 115745769

IUPAC4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(F)cc1C
InChIInChI=1S/C15H21FN2O2/c1-9(2)7-13(15(20)17-4)18-14(19)12-6-5-11(16)8-10(12)3/h5-6,8-9,13H,7H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyUFYMOQABAIWSHB-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.02
Rot. Bonds5

About 4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (PubChem CID 115745769) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
PubChem CID115745769
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(F)cc1C
InChIInChI=1S/C15H21FN2O2/c1-9(2)7-13(15(20)17-4)18-14(19)12-6-5-11(16)8-10(12)3/h5-6,8-9,13H,7H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyUFYMOQABAIWSHB-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate
CID 115745150
(2R)-4-amino-2-[(4-fluoro-2-methylbenzoyl)amino]-4-oxobutanoic acid
CID 107821566
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide
CID 63067468
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712
2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776174
4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide
CID 112703509
(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119364700
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide
CID 103839185

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (CID 115745769) is 4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is CNC(=O)C(CC(C)C)NC(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The InChIKey is UFYMOQABAIWSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-9(2)7-13(15(20)17-4)18-14(19)12-6-5-11(16)8-10(12)3/h5-6,8-9,13H,7H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide has a molecular weight of 280.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 115745769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).