methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate

C15H20FNO3 — CID 115745150

IUPACmethyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccc(F)cc1C
InChIInChI=1S/C15H20FNO3/c1-9(2)7-13(15(19)20-4)17-14(18)12-6-5-11(16)8-10(12)3/h5-6,8-9,13H,7H2,1-4H3,(H,17,18)
InChIKeyAVDYRAIITCZRNL-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.45
Rot. Bonds5

About methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate

methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate (PubChem CID 115745150) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate
PubChem CID115745150
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccc(F)cc1C
InChIInChI=1S/C15H20FNO3/c1-9(2)7-13(15(19)20-4)17-14(18)12-6-5-11(16)8-10(12)3/h5-6,8-9,13H,7H2,1-4H3,(H,17,18)
InChIKeyAVDYRAIITCZRNL-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 115745769
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate
CID 115659766
4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide
CID 112703509
(2R)-4-amino-2-[(4-fluoro-2-methylbenzoyl)amino]-4-oxobutanoic acid
CID 107821566
methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate
CID 82799828
methyl (2S)-2-[(2-amino-5-methylbenzoyl)amino]-4-methylpentanoate
CID 103954859
methyl 2-[(2-bromo-3-methylbenzoyl)amino]-4-methylpentanoate
CID 103852803
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 46828992
methyl (2S)-2-[(2-iodobenzoyl)amino]-4-methylpentanoate
CID 1224241

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate (CID 115745150) is methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1ccc(F)cc1C.
What is the InChIKey of methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate?
The InChIKey is AVDYRAIITCZRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9(2)7-13(15(19)20-4)17-14(18)12-6-5-11(16)8-10(12)3/h5-6,8-9,13H,7H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate?
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate has a molecular weight of 281.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 115745150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).