2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide

C26H20ClNO4 — CID 24520446

IUPAC2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccccc1
InChIInChI=1S/C26H20ClNO4/c27-21-13-20-19(16-7-3-1-4-8-16)14-24(29)31-22(20)15-23(21)32-25(17-9-5-2-6-10-17)26(30)28-18-11-12-18/h1-10,13-15,18,25H,11-12H2,(H,28,30)
InChIKeyDMTKUZAWEXPMSZ-UHFFFAOYSA-N
MW445.90 g/mol
LogP5.51
Rot. Bonds6

About 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide (PubChem CID 24520446) has the molecular formula C26H20ClNO4 and a molecular weight of 445.90 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide
PubChem CID24520446
Molecular FormulaC26H20ClNO4
Molecular Weight445.90 g/mol
Exact Mass445.11
IUPAC Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccccc1
InChIInChI=1S/C26H20ClNO4/c27-21-13-20-19(16-7-3-1-4-8-16)14-24(29)31-22(20)15-23(21)32-25(17-9-5-2-6-10-17)26(30)28-18-11-12-18/h1-10,13-15,18,25H,11-12H2,(H,28,30)
InChIKeyDMTKUZAWEXPMSZ-UHFFFAOYSA-N
XLogP5.51
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.90
LogP ≤ 55.51
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

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide
CID 146342734
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide
CID 24520454
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide
CID 24520440
methyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetate
CID 4914802
methyl (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetate
CID 7345390
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide
CID 146306514
(2S)-N-cyclopropyl-2-(3,4-dichlorophenoxy)-2-phenylacetamide
CID 9417632
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4911631
(3R)-1-[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]piperidine-3-carboxylic acid
CID 41087669
tert-butyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988856
(6-chloro-2-oxo-4-phenylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 2855940
(6-chloro-2-oxo-4-phenylchromen-7-yl) (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 2065261

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide (CID 24520446) is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide is O=C(NC1CC1)C(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccccc1.
What is the InChIKey of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide?
The InChIKey is DMTKUZAWEXPMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO4/c27-21-13-20-19(16-7-3-1-4-8-16)14-24(29)31-22(20)15-23(21)32-25(17-9-5-2-6-10-17)26(30)28-18-11-12-18/h1-10,13-15,18,25H,11-12H2,(H,28,30).
What are the key properties of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide?
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide has a molecular weight of 445.90 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 24520446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).