2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide

C26H21NO4 — CID 16521546

IUPAC2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C26H21NO4/c28-25-15-19(22-13-17-7-6-8-18(17)14-24(22)31-25)16-30-23-12-5-4-11-21(23)26(29)27-20-9-2-1-3-10-20/h1-5,9-15H,6-8,16H2,(H,27,29)
InChIKeyIMFCPPGQSGTJRI-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.11
Rot. Bonds5

About 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide

2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide (PubChem CID 16521546) has the molecular formula C26H21NO4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide
PubChem CID16521546
Molecular FormulaC26H21NO4
Molecular Weight411.46 g/mol
Exact Mass411.15
IUPAC Name2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C26H21NO4/c28-25-15-19(22-13-17-7-6-8-18(17)14-24(22)31-25)16-30-23-12-5-4-11-21(23)26(29)27-20-9-2-1-3-10-20/h1-5,9-15H,6-8,16H2,(H,27,29)
InChIKeyIMFCPPGQSGTJRI-UHFFFAOYSA-N
XLogP5.11
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.11
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

4-[(2-bromophenoxy)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 16518094
4-[(2,5-dichlorophenoxy)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 7185179
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-phenylbutanoate
CID 7811290
4-[(2-methyl-3-nitrophenoxy)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 55867836
2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide
CID 38902837
4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one
CID 7859252
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2,6-dichlorobenzoate
CID 2629700
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(benzenesulfonamido)propanoate
CID 55326624
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3,4,5-triethoxybenzoate
CID 16540849
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 7759087
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-methylbut-2-enoate
CID 16528469
4-[[3-(tetrazol-1-yl)phenoxy]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 7768759

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide?
The IUPAC name of 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide (CID 16521546) is 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1OCc1cc(=O)oc2cc3c(cc12)CCC3.
What is the InChIKey of 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide?
The InChIKey is IMFCPPGQSGTJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO4/c28-25-15-19(22-13-17-7-6-8-18(17)14-24(22)31-25)16-30-23-12-5-4-11-21(23)26(29)27-20-9-2-1-3-10-20/h1-5,9-15H,6-8,16H2,(H,27,29).
What are the key properties of 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide?
2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide has a molecular weight of 411.46 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide is sourced from PubChem (CID 16521546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).