propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate

C17H16FNO3 — CID 2664505

IUPACpropan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H16FNO3/c1-11(2)22-17(21)12-6-8-15(9-7-12)19-16(20)13-4-3-5-14(18)10-13/h3-11H,1-2H3,(H,19,20)
InChIKeyROLOHTQDSNEXRR-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.64
Rot. Bonds4

About propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate

propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate (PubChem CID 2664505) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
PubChem CID2664505
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namepropan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H16FNO3/c1-11(2)22-17(21)12-6-8-15(9-7-12)19-16(20)13-4-3-5-14(18)10-13/h3-11H,1-2H3,(H,19,20)
InChIKeyROLOHTQDSNEXRR-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
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propan-2-yl 4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
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3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
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[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
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methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate (CID 2664505) is propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate?
The InChIKey is ROLOHTQDSNEXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-11(2)22-17(21)12-6-8-15(9-7-12)19-16(20)13-4-3-5-14(18)10-13/h3-11H,1-2H3,(H,19,20).
What are the key properties of propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate?
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate has a molecular weight of 301.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 2664505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).