[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate

C23H18FNO4 — CID 8013919

IUPAC[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
SMILESC[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccccc1F
InChIInChI=1S/C23H18FNO4/c1-14(22(26)25-18-11-5-4-10-17(18)24)28-23(27)21-15-8-2-6-12-19(15)29-20-13-7-3-9-16(20)21/h2-14,21H,1H3,(H,25,26)/t14-/m1/s1
InChIKeyIZDNQFNJFJMHHC-CQSZACIVSA-N
MW391.40 g/mol
LogP4.63
Rot. Bonds4

About [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate (PubChem CID 8013919) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
PubChem CID8013919
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Name[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
SMILESC[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccccc1F
InChIInChI=1S/C23H18FNO4/c1-14(22(26)25-18-11-5-4-10-17(18)24)28-23(27)21-15-8-2-6-12-19(15)29-20-13-7-3-9-16(20)21/h2-14,21H,1H3,(H,25,26)/t14-/m1/s1
InChIKeyIZDNQFNJFJMHHC-CQSZACIVSA-N
XLogP4.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
CID 2573686
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
CID 4799567
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
CID 3879037
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
CID 2516964
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate
CID 41308558
N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 742969
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 46649058
[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 23831746
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606399
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11926992

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate?
The IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate (CID 8013919) is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate.
What is the SMILES notation for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate?
The canonical SMILES for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate is C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccccc1F.
What is the InChIKey of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate?
The InChIKey is IZDNQFNJFJMHHC-CQSZACIVSA-N. The full InChI is InChI=1S/C23H18FNO4/c1-14(22(26)25-18-11-5-4-10-17(18)24)28-23(27)21-15-8-2-6-12-19(15)29-20-13-7-3-9-16(20)21/h2-14,21H,1H3,(H,25,26)/t14-/m1/s1.
What are the key properties of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate?
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate has a molecular weight of 391.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate is sourced from PubChem (CID 8013919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).