methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate

C15H19F2NO3 — CID 82799828

IUPACmethyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H19F2NO3/c1-8(2)7-11(15(20)21-4)18-14(19)12-10(16)6-5-9(3)13(12)17/h5-6,8,11H,7H2,1-4H3,(H,18,19)
InChIKeyHMZSPXJMRRVFAK-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.59
Rot. Bonds5

About methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate

methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate (PubChem CID 82799828) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate
PubChem CID82799828
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Namemethyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H19F2NO3/c1-8(2)7-11(15(20)21-4)18-14(19)12-10(16)6-5-9(3)13(12)17/h5-6,8,11H,7H2,1-4H3,(H,18,19)
InChIKeyHMZSPXJMRRVFAK-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82815432
N-(1-bromo-4-methylpentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82817962
N-(1-amino-1-sulfanylidenebutan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82814814
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-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate
CID 115659766
N-(1-bromopropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82818849
2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
CID 82814887
2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
CID 82815283
2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide
CID 82816389

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate (CID 82799828) is methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate?
The InChIKey is HMZSPXJMRRVFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-8(2)7-11(15(20)21-4)18-14(19)12-10(16)6-5-9(3)13(12)17/h5-6,8,11H,7H2,1-4H3,(H,18,19).
What are the key properties of methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate?
methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate has a molecular weight of 299.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 82799828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).