1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate

C14H18FNO4 — CID 141480693

IUPAC1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate
SMILESCOC(=O)C(C)(C)Nc1ccccc1C(=O)OC(C)F
InChIInChI=1S/C14H18FNO4/c1-9(15)20-12(17)10-7-5-6-8-11(10)16-14(2,3)13(18)19-4/h5-9,16H,1-4H3
InChIKeyFXWCDVKDLXVEOD-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.52
Rot. Bonds5

About 1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate

1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate (PubChem CID 141480693) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate.

Molecular Properties

Compound Name1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate
PubChem CID141480693
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate
SMILESCOC(=O)C(C)(C)Nc1ccccc1C(=O)OC(C)F
InChIInChI=1S/C14H18FNO4/c1-9(15)20-12(17)10-7-5-6-8-11(10)16-14(2,3)13(18)19-4/h5-9,16H,1-4H3
InChIKeyFXWCDVKDLXVEOD-UHFFFAOYSA-N
XLogP2.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-(2,2-dimethylpropanoylamino)benzoate
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methyl 2-[[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propanoyl]amino]benzoate
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propan-2-yl 2-(4-methoxyanilino)benzoate
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CID 46617983

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate?
The IUPAC name of 1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate (CID 141480693) is 1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate.
What is the SMILES notation for 1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate?
The canonical SMILES for 1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate is COC(=O)C(C)(C)Nc1ccccc1C(=O)OC(C)F.
What is the InChIKey of 1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate?
The InChIKey is FXWCDVKDLXVEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-9(15)20-12(17)10-7-5-6-8-11(10)16-14(2,3)13(18)19-4/h5-9,16H,1-4H3.
What are the key properties of 1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate?
1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate has a molecular weight of 283.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate is sourced from PubChem (CID 141480693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).