[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate

C19H17F2NO5 — CID 2512753

IUPAC[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C19H17F2NO5/c1-11(23)13-5-3-7-15(9-13)22-17(24)12(2)26-18(25)14-6-4-8-16(10-14)27-19(20)21/h3-10,12,19H,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyOIUZNHDVOLPXSJ-GFCCVEGCSA-N
MW377.34 g/mol
LogP3.67
Rot. Bonds7

About [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate (PubChem CID 2512753) has the molecular formula C19H17F2NO5 and a molecular weight of 377.34 g/mol. Its IUPAC name is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate
PubChem CID2512753
Molecular FormulaC19H17F2NO5
Molecular Weight377.34 g/mol
Exact Mass377.11
IUPAC Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C19H17F2NO5/c1-11(23)13-5-3-7-15(9-13)22-17(24)12(2)26-18(25)14-6-4-8-16(10-14)27-19(20)21/h3-10,12,19H,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyOIUZNHDVOLPXSJ-GFCCVEGCSA-N
XLogP3.67
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate
CID 2512738
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate
CID 7985251
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate
CID 7701223
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 6915148
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842363
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 2603355
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842519
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7780965
[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 6915084
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 41323985
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 3-acetamidobenzoate
CID 2636888
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8612332

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate?
The IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate (CID 2512753) is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate.
What is the SMILES notation for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate?
The canonical SMILES for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate is CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(OC(F)F)c2)c1.
What is the InChIKey of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate?
The InChIKey is OIUZNHDVOLPXSJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F2NO5/c1-11(23)13-5-3-7-15(9-13)22-17(24)12(2)26-18(25)14-6-4-8-16(10-14)27-19(20)21/h3-10,12,19H,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate?
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate has a molecular weight of 377.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate is sourced from PubChem (CID 2512753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).