[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate

C18H16F2N2O5 — CID 7609616

IUPAC[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
SMILESC[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H16F2N2O5/c1-10(16(24)22-12-8-6-11(7-9-12)15(21)23)26-17(25)13-4-2-3-5-14(13)27-18(19)20/h2-10,18H,1H3,(H2,21,23)(H,22,24)/t10-/m0/s1
InChIKeySXDSKSNGUZGBHR-JTQLQIEISA-N
MW378.33 g/mol
LogP2.57
Rot. Bonds7

About [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate

[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate (PubChem CID 7609616) has the molecular formula C18H16F2N2O5 and a molecular weight of 378.33 g/mol. Its IUPAC name is [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
PubChem CID7609616
Molecular FormulaC18H16F2N2O5
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
SMILESC[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H16F2N2O5/c1-10(16(24)22-12-8-6-11(7-9-12)15(21)23)26-17(25)13-4-2-3-5-14(13)27-18(19)20/h2-10,18H,1H3,(H2,21,23)(H,22,24)/t10-/m0/s1
InChIKeySXDSKSNGUZGBHR-JTQLQIEISA-N
XLogP2.57
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(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

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 2691678
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7608993
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7670970
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7865529
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 7765209
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate
CID 8857074
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 8596984
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609608
4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 4943131
[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540281
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540288
[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498436

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate?
The IUPAC name of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate (CID 7609616) is [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate is C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate?
The InChIKey is SXDSKSNGUZGBHR-JTQLQIEISA-N. The full InChI is InChI=1S/C18H16F2N2O5/c1-10(16(24)22-12-8-6-11(7-9-12)15(21)23)26-17(25)13-4-2-3-5-14(13)27-18(19)20/h2-10,18H,1H3,(H2,21,23)(H,22,24)/t10-/m0/s1.
What are the key properties of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate?
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate has a molecular weight of 378.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 7609616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).