methyl 5-fluoro-2-(propanoylamino)benzoate

C11H12FNO3 — CID 60787953

IUPACmethyl 5-fluoro-2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccc(F)cc1C(=O)OC
InChIInChI=1S/C11H12FNO3/c1-3-10(14)13-9-5-4-7(12)6-8(9)11(15)16-2/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyYTUWLYNUVSFHLI-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.96
Rot. Bonds3

About methyl 5-fluoro-2-(propanoylamino)benzoate

methyl 5-fluoro-2-(propanoylamino)benzoate (PubChem CID 60787953) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 5-fluoro-2-(propanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-(propanoylamino)benzoate
PubChem CID60787953
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Namemethyl 5-fluoro-2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccc(F)cc1C(=O)OC
InChIInChI=1S/C11H12FNO3/c1-3-10(14)13-9-5-4-7(12)6-8(9)11(15)16-2/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyYTUWLYNUVSFHLI-UHFFFAOYSA-N
XLogP1.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-acetamido-5-fluorobenzoate
CID 60786102
5-(4-fluoro-2-methoxycarbonylanilino)-3-methyl-5-oxopentanoic acid
CID 62965928
methyl 2-(4-chlorobutanoylamino)-5-fluorobenzoate
CID 63307711
methyl 5-fluoro-2-[3-(propan-2-ylamino)propanoylamino]benzoate
CID 60854532
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate
CID 60850707
methyl 2-[3-(cyclopropylamino)propanoylamino]-5-fluorobenzoate
CID 60867845
methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
CID 61030182
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
methyl 5-fluoro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196610
4-(4-fluoro-2-methoxycarbonylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993126
methyl 2-[3-(ethylamino)propanoylamino]-4-fluorobenzoate
CID 55121672
methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
CID 43735453

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-(propanoylamino)benzoate?
The IUPAC name of methyl 5-fluoro-2-(propanoylamino)benzoate (CID 60787953) is methyl 5-fluoro-2-(propanoylamino)benzoate.
What is the SMILES notation for methyl 5-fluoro-2-(propanoylamino)benzoate?
The canonical SMILES for methyl 5-fluoro-2-(propanoylamino)benzoate is CCC(=O)Nc1ccc(F)cc1C(=O)OC.
What is the InChIKey of methyl 5-fluoro-2-(propanoylamino)benzoate?
The InChIKey is YTUWLYNUVSFHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-3-10(14)13-9-5-4-7(12)6-8(9)11(15)16-2/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of methyl 5-fluoro-2-(propanoylamino)benzoate?
methyl 5-fluoro-2-(propanoylamino)benzoate has a molecular weight of 225.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-(propanoylamino)benzoate is sourced from PubChem (CID 60787953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).