methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate

C15H20FNO3 — CID 115659766

IUPACmethyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C15H20FNO3/c1-9(2)5-13(15(19)20-4)17-14(18)11-6-10(3)7-12(16)8-11/h6-9,13H,5H2,1-4H3,(H,17,18)
InChIKeySWBITENJIAEELT-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.45
Rot. Bonds5

About methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate

methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate (PubChem CID 115659766) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate
PubChem CID115659766
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C15H20FNO3/c1-9(2)5-13(15(19)20-4)17-14(18)11-6-10(3)7-12(16)8-11/h6-9,13H,5H2,1-4H3,(H,17,18)
InChIKeySWBITENJIAEELT-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

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Related Compounds

2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112700709
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
methyl (2R)-2-[(3,5-diacetamidobenzoyl)amino]-4-methylpentanoate
CID 41236732
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate
CID 115745150
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
CID 60565397
methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate
CID 82799828
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
methyl (2S)-2-[[3-cyclopenta-2,4-dien-1-yl-5-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]benzoyl]amino]-4-methylpentanoate
CID 102167272
methyl 2-[(4-iodobenzoyl)amino]-4-methylpentanoate
CID 43404335

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate (CID 115659766) is methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1cc(C)cc(F)c1.
What is the InChIKey of methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate?
The InChIKey is SWBITENJIAEELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9(2)5-13(15(19)20-4)17-14(18)11-6-10(3)7-12(16)8-11/h6-9,13H,5H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate?
methyl 2-[(3-fluoro-5-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-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 115659766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).