[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate

C14H15ClFNO4 — CID 8729520

IUPAC[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SMILESC[C@@H](OC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFNO4/c1-8(21-14(19)12-3-2-6-20-12)13(18)17-11-5-4-9(15)7-10(11)16/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t8-,12-/m1/s1
InChIKeyRFKVEMHEWXUBJZ-PRHODGIISA-N
MW315.73 g/mol
LogP2.53
Rot. Bonds4

About [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate

[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate (PubChem CID 8729520) has the molecular formula C14H15ClFNO4 and a molecular weight of 315.73 g/mol. Its IUPAC name is [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
PubChem CID8729520
Molecular FormulaC14H15ClFNO4
Molecular Weight315.73 g/mol
Exact Mass315.07
IUPAC Name[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SMILESC[C@@H](OC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFNO4/c1-8(21-14(19)12-3-2-6-20-12)13(18)17-11-5-4-9(15)7-10(11)16/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t8-,12-/m1/s1
InChIKeyRFKVEMHEWXUBJZ-PRHODGIISA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
CID 8729837
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
CID 8729638
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8729869
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 8987717
[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]-cyclooctylazanium
CID 9444240
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]-cyclooctylazanium
CID 9444244
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
CID 1431917
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8729981
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954453
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 55417719

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate?
The IUPAC name of [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate (CID 8729520) is [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate is C[C@@H](OC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate?
The InChIKey is RFKVEMHEWXUBJZ-PRHODGIISA-N. The full InChI is InChI=1S/C14H15ClFNO4/c1-8(21-14(19)12-3-2-6-20-12)13(18)17-11-5-4-9(15)7-10(11)16/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t8-,12-/m1/s1.
What are the key properties of [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate?
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate has a molecular weight of 315.73 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 8729520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).