N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide

C29H21NO5 — CID 108730638

IUPACN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4cccc(Oc5ccccc5)c4)cc3)cc(=O)c2c1
InChIInChI=1S/C29H21NO5/c1-33-23-14-15-27-25(17-23)26(31)18-28(35-27)19-10-12-21(13-11-19)30-29(32)20-6-5-9-24(16-20)34-22-7-3-2-4-8-22/h2-18H,1H3,(H,30,32)
InChIKeyYBFKEMPMQHXJLP-UHFFFAOYSA-N
MW463.49 g/mol
LogP6.51
Rot. Bonds6

About N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide (PubChem CID 108730638) has the molecular formula C29H21NO5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
PubChem CID108730638
Molecular FormulaC29H21NO5
Molecular Weight463.49 g/mol
Exact Mass463.14
IUPAC NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4cccc(Oc5ccccc5)c4)cc3)cc(=O)c2c1
InChIInChI=1S/C29H21NO5/c1-33-23-14-15-27-25(17-23)26(31)18-28(35-27)19-10-12-21(13-11-19)30-29(32)20-6-5-9-24(16-20)34-22-7-3-2-4-8-22/h2-18H,1H3,(H,30,32)
InChIKeyYBFKEMPMQHXJLP-UHFFFAOYSA-N
XLogP6.51
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide
CID 18568882
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108730692
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568849
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
CID 108754317
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730722
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 108730665

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide?
The IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide (CID 108730638) is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide?
The canonical SMILES for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide is COc1ccc2oc(-c3ccc(NC(=O)c4cccc(Oc5ccccc5)c4)cc3)cc(=O)c2c1.
What is the InChIKey of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide?
The InChIKey is YBFKEMPMQHXJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO5/c1-33-23-14-15-27-25(17-23)26(31)18-28(35-27)19-10-12-21(13-11-19)30-29(32)20-6-5-9-24(16-20)34-22-7-3-2-4-8-22/h2-18H,1H3,(H,30,32).
What are the key properties of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide?
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide has a molecular weight of 463.49 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide is sourced from PubChem (CID 108730638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).