N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide

C25H22Cl2N2O4 — CID 57070326

IUPACN-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2c(=O)c3c(oc2c1)C(=Cc1c(Cl)cccc1Cl)CC3
InChIInChI=1S/C25H22Cl2N2O4/c26-20-2-1-3-21(27)19(20)12-15-4-6-18-24(31)17-7-5-16(13-22(17)33-25(15)18)28-23(30)14-29-8-10-32-11-9-29/h1-3,5,7,12-13H,4,6,8-11,14H2,(H,28,30)
InChIKeyAARYIQXAVLETDY-UHFFFAOYSA-N
MW485.37 g/mol
LogP4.86
Rot. Bonds4

About N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide

N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide (PubChem CID 57070326) has the molecular formula C25H22Cl2N2O4 and a molecular weight of 485.37 g/mol. Its IUPAC name is N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide
PubChem CID57070326
Molecular FormulaC25H22Cl2N2O4
Molecular Weight485.37 g/mol
Exact Mass484.10
IUPAC NameN-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2c(=O)c3c(oc2c1)C(=Cc1c(Cl)cccc1Cl)CC3
InChIInChI=1S/C25H22Cl2N2O4/c26-20-2-1-3-21(27)19(20)12-15-4-6-18-24(31)17-7-5-16(13-22(17)33-25(15)18)28-23(30)14-29-8-10-32-11-9-29/h1-3,5,7,12-13H,4,6,8-11,14H2,(H,28,30)
InChIKeyAARYIQXAVLETDY-UHFFFAOYSA-N
XLogP4.86
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide
CID 162787858
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide
CID 162787837
ethyl 2-oxo-2-[[9-oxo-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]chromen-6-yl]amino]acetate
CID 151271783
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 16623903
N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide
CID 162787856
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide (CID 57070326) is N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc2c(=O)c3c(oc2c1)C(=Cc1c(Cl)cccc1Cl)CC3.
What is the InChIKey of N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide?
The InChIKey is AARYIQXAVLETDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O4/c26-20-2-1-3-21(27)19(20)12-15-4-6-18-24(31)17-7-5-16(13-22(17)33-25(15)18)28-23(30)14-29-8-10-32-11-9-29/h1-3,5,7,12-13H,4,6,8-11,14H2,(H,28,30).
What are the key properties of N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide?
N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide has a molecular weight of 485.37 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 57070326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).