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

C15H20FNO3 — CID 115745717

IUPACmethyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(F)cc1C)C(=O)OC
InChIInChI=1S/C15H20FNO3/c1-5-8-15(3,14(19)20-4)17-13(18)12-7-6-11(16)9-10(12)2/h6-7,9H,5,8H2,1-4H3,(H,17,18)
InChIKeyGWHWWUBAIRCREQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.60
Rot. Bonds5

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

methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate (PubChem CID 115745717) 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]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
PubChem CID115745717
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(F)cc1C)C(=O)OC
InChIInChI=1S/C15H20FNO3/c1-5-8-15(3,14(19)20-4)17-13(18)12-7-6-11(16)9-10(12)2/h6-7,9H,5,8H2,1-4H3,(H,17,18)
InChIKeyGWHWWUBAIRCREQ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpentanoate
CID 43423763
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
CID 79769737
methyl 2-[(2-iodo-3-methylbenzoyl)amino]-2-methylpentanoate
CID 47350798
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
CID 82830810
methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate
CID 60565492
4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide
CID 75519360
methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
CID 112822198
methyl (2R)-2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylbutanoate
CID 94800835
2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 115298445
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluoro-2-methylbenzamide
CID 114008483

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate (CID 115745717) is methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1ccc(F)cc1C)C(=O)OC.
What is the InChIKey of methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate?
The InChIKey is GWHWWUBAIRCREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-5-8-15(3,14(19)20-4)17-13(18)12-7-6-11(16)9-10(12)2/h6-7,9H,5,8H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate?
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate has a molecular weight of 281.33 g/mol, XLogP of 2.60, 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]-2-methylpentanoate is sourced from PubChem (CID 115745717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).