2-butoxyethyl 3-acetamido-4-fluorobenzoate

C15H20FNO4 — CID 52736601

IUPAC2-butoxyethyl 3-acetamido-4-fluorobenzoate
SMILESCCCCOCCOC(=O)c1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C15H20FNO4/c1-3-4-7-20-8-9-21-15(19)12-5-6-13(16)14(10-12)17-11(2)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeySMUNBQCPLZCZPW-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.76
Rot. Bonds8

About 2-butoxyethyl 3-acetamido-4-fluorobenzoate

2-butoxyethyl 3-acetamido-4-fluorobenzoate (PubChem CID 52736601) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-butoxyethyl 3-acetamido-4-fluorobenzoate.

Molecular Properties

Compound Name2-butoxyethyl 3-acetamido-4-fluorobenzoate
PubChem CID52736601
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name2-butoxyethyl 3-acetamido-4-fluorobenzoate
SMILESCCCCOCCOC(=O)c1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C15H20FNO4/c1-3-4-7-20-8-9-21-15(19)12-5-6-13(16)14(10-12)17-11(2)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeySMUNBQCPLZCZPW-UHFFFAOYSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethyl 3-amino-4-fluorobenzoate
CID 61304263
2-butoxyethyl 4-amino-3-methylbenzoate
CID 61301692
3-(6-methyl-2-pyridinyl)propyl 3-acetamido-4-fluorobenzoate
CID 60564285
methyl 4-fluoro-3-(hexanoylamino)benzoate
CID 78840494
butyl 4-fluoro-3-methylbenzoate
CID 63297434
tetradecyl 3,4-difluorobenzoate
CID 91717371
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580
methyl 4-fluoro-3-(pentylamino)benzoate
CID 43684380
butyl 3-chloro-4-fluorobenzoate
CID 79020284
bis(2-butoxyethyl) 4-bromobenzene-1,3-dicarboxylate
CID 118856982
3-(2-butoxyethoxycarbonyl)benzoic acid
CID 54097430
2-butoxyethyl 4-amino-3-methoxybenzoate
CID 104783923

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 3-acetamido-4-fluorobenzoate?
The IUPAC name of 2-butoxyethyl 3-acetamido-4-fluorobenzoate (CID 52736601) is 2-butoxyethyl 3-acetamido-4-fluorobenzoate.
What is the SMILES notation for 2-butoxyethyl 3-acetamido-4-fluorobenzoate?
The canonical SMILES for 2-butoxyethyl 3-acetamido-4-fluorobenzoate is CCCCOCCOC(=O)c1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of 2-butoxyethyl 3-acetamido-4-fluorobenzoate?
The InChIKey is SMUNBQCPLZCZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-3-4-7-20-8-9-21-15(19)12-5-6-13(16)14(10-12)17-11(2)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-butoxyethyl 3-acetamido-4-fluorobenzoate?
2-butoxyethyl 3-acetamido-4-fluorobenzoate has a molecular weight of 297.33 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 3-acetamido-4-fluorobenzoate is sourced from PubChem (CID 52736601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).