2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide

C25H20ClNO4 — CID 110274479

IUPAC2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
SMILESCCOc1ccc(-c2cc(=O)c3cc(NC(=O)C(Cl)c4ccccc4)ccc3o2)cc1
InChIInChI=1S/C25H20ClNO4/c1-2-30-19-11-8-16(9-12-19)23-15-21(28)20-14-18(10-13-22(20)31-23)27-25(29)24(26)17-6-4-3-5-7-17/h3-15,24H,2H2,1H3,(H,27,29)
InChIKeyPDLCPPXRYDEUBJ-UHFFFAOYSA-N
MW433.89 g/mol
LogP5.78
Rot. Bonds6

About 2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide

2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide (PubChem CID 110274479) has the molecular formula C25H20ClNO4 and a molecular weight of 433.89 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
PubChem CID110274479
Molecular FormulaC25H20ClNO4
Molecular Weight433.89 g/mol
Exact Mass433.11
IUPAC Name2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
SMILESCCOc1ccc(-c2cc(=O)c3cc(NC(=O)C(Cl)c4ccccc4)ccc3o2)cc1
InChIInChI=1S/C25H20ClNO4/c1-2-30-19-11-8-16(9-12-19)23-15-21(28)20-14-18(10-13-22(20)31-23)27-25(29)24(26)17-6-4-3-5-7-17/h3-15,24H,2H2,1H3,(H,27,29)
InChIKeyPDLCPPXRYDEUBJ-UHFFFAOYSA-N
XLogP5.78
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.89
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
CID 110274473
N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)propanamide
CID 110274178
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide
CID 18568864
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide
CID 18568882
1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea
CID 3042361
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)propanamide
CID 110274171
2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide
CID 42506836
2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568849
[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate
CID 101482306
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
CID 108754317
propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate
CID 22763960

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide (CID 110274479) is 2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide is CCOc1ccc(-c2cc(=O)c3cc(NC(=O)C(Cl)c4ccccc4)ccc3o2)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide?
The InChIKey is PDLCPPXRYDEUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO4/c1-2-30-19-11-8-16(9-12-19)23-15-21(28)20-14-18(10-13-22(20)31-23)27-25(29)24(26)17-6-4-3-5-7-17/h3-15,24H,2H2,1H3,(H,27,29).
What are the key properties of 2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide?
2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide has a molecular weight of 433.89 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide is sourced from PubChem (CID 110274479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).