[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate

C15H21FN2O3 — CID 103297907

IUPAC[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate
SMILESCc1cc(N)cc(C(=O)OC(C)C(=O)NCC(C)C)c1F
InChIInChI=1S/C15H21FN2O3/c1-8(2)7-18-14(19)10(4)21-15(20)12-6-11(17)5-9(3)13(12)16/h5-6,8,10H,7,17H2,1-4H3,(H,18,19)
InChIKeyZHJYJQHBQYPOGB-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.03
Rot. Bonds5

About [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate

[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate (PubChem CID 103297907) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate.

Molecular Properties

Compound Name[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate
PubChem CID103297907
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate
SMILESCc1cc(N)cc(C(=O)OC(C)C(=O)NCC(C)C)c1F
InChIInChI=1S/C15H21FN2O3/c1-8(2)7-18-14(19)10(4)21-15(20)12-6-11(17)5-9(3)13(12)16/h5-6,8,10H,7,17H2,1-4H3,(H,18,19)
InChIKeyZHJYJQHBQYPOGB-UHFFFAOYSA-N
XLogP2.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxyethyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297819
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322293
5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 103296755
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-fluorobenzoate
CID 61315810
(2-methylphenyl)methyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297939
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-amino-3-chlorobenzoate
CID 78998309
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8994629
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 31543502
[1-(ethylamino)-1-oxopropan-2-yl] 5-amino-2-chlorobenzoate
CID 61321068
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 8987711
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 46619427

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate?
The IUPAC name of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate (CID 103297907) is [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate.
What is the SMILES notation for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate?
The canonical SMILES for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate is Cc1cc(N)cc(C(=O)OC(C)C(=O)NCC(C)C)c1F.
What is the InChIKey of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate?
The InChIKey is ZHJYJQHBQYPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-8(2)7-18-14(19)10(4)21-15(20)12-6-11(17)5-9(3)13(12)16/h5-6,8,10H,7,17H2,1-4H3,(H,18,19).
What are the key properties of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate?
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate has a molecular weight of 296.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate is sourced from PubChem (CID 103297907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).