propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate

C20H22FNO3 — CID 86898563

IUPACpropan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate
SMILESCc1ccc(-c2ccc(C(=O)NCC(=O)OC(C)C)c(F)c2)cc1C
InChIInChI=1S/C20H22FNO3/c1-12(2)25-19(23)11-22-20(24)17-8-7-16(10-18(17)21)15-6-5-13(3)14(4)9-15/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyOTHVESPIACUIMZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.79
Rot. Bonds5

About propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate

propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate (PubChem CID 86898563) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate
PubChem CID86898563
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Namepropan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate
SMILESCc1ccc(-c2ccc(C(=O)NCC(=O)OC(C)C)c(F)c2)cc1C
InChIInChI=1S/C20H22FNO3/c1-12(2)25-19(23)11-22-20(24)17-8-7-16(10-18(17)21)15-6-5-13(3)14(4)9-15/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyOTHVESPIACUIMZ-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate (CID 86898563) is propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate is Cc1ccc(-c2ccc(C(=O)NCC(=O)OC(C)C)c(F)c2)cc1C.
What is the InChIKey of propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate?
The InChIKey is OTHVESPIACUIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-12(2)25-19(23)11-22-20(24)17-8-7-16(10-18(17)21)15-6-5-13(3)14(4)9-15/h5-10,12H,11H2,1-4H3,(H,22,24).
What are the key properties of propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate?
propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate has a molecular weight of 343.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate is sourced from PubChem (CID 86898563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).