(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide

C23H16FNO4 — CID 7233639

IUPAC(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1
InChIInChI=1S/C23H16FNO4/c24-17-8-10-18(11-9-17)25-23(27)22(16-4-2-1-3-5-16)28-19-12-6-15-7-13-21(26)29-20(15)14-19/h1-14,22H,(H,25,27)/t22-/m0/s1
InChIKeyGAWJKJXTYZPEGD-QFIPXVFZSA-N
MW389.38 g/mol
LogP4.69
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide

(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide (PubChem CID 7233639) has the molecular formula C23H16FNO4 and a molecular weight of 389.38 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
PubChem CID7233639
Molecular FormulaC23H16FNO4
Molecular Weight389.38 g/mol
Exact Mass389.11
IUPAC Name(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1
InChIInChI=1S/C23H16FNO4/c24-17-8-10-18(11-9-17)25-23(27)22(16-4-2-1-3-5-16)28-19-12-6-15-7-13-21(26)29-20(15)14-19/h1-14,22H,(H,25,27)/t22-/m0/s1
InChIKeyGAWJKJXTYZPEGD-QFIPXVFZSA-N
XLogP4.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
CID 16504572
(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 905948
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
ethyl (2S)-2-(2-oxochromen-7-yl)oxy-2-phenylacetate
CID 2325657
4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide
CID 8608028
7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one
CID 7715462
(2R)-2-(2-oxochromen-7-yl)oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7564616
(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 7290663
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646842
ethyl (2R)-2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxy-2-phenylacetate
CID 2062748

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide (CID 7233639) is (2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide is O=C(Nc1ccc(F)cc1)[C@@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide?
The InChIKey is GAWJKJXTYZPEGD-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H16FNO4/c24-17-8-10-18(11-9-17)25-23(27)22(16-4-2-1-3-5-16)28-19-12-6-15-7-13-21(26)29-20(15)14-19/h1-14,22H,(H,25,27)/t22-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide?
(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide has a molecular weight of 389.38 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide is sourced from PubChem (CID 7233639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).