4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide

C26H22ClNO5 — CID 108754377

IUPAC4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)CCCOc4ccccc4Cl)cc3)cc(=O)c2c1
InChIInChI=1S/C26H22ClNO5/c1-31-19-12-13-23-20(15-19)22(29)16-25(33-23)17-8-10-18(11-9-17)28-26(30)7-4-14-32-24-6-3-2-5-21(24)27/h2-3,5-6,8-13,15-16H,4,7,14H2,1H3,(H,28,30)
InChIKeyDDYNTUJIWGDXFB-UHFFFAOYSA-N
MW463.92 g/mol
LogP5.92
Rot. Bonds8

About 4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide

4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide (PubChem CID 108754377) has the molecular formula C26H22ClNO5 and a molecular weight of 463.92 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide
PubChem CID108754377
Molecular FormulaC26H22ClNO5
Molecular Weight463.92 g/mol
Exact Mass463.12
IUPAC Name4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)CCCOc4ccccc4Cl)cc3)cc(=O)c2c1
InChIInChI=1S/C26H22ClNO5/c1-31-19-12-13-23-20(15-19)22(29)16-25(33-23)17-8-10-18(11-9-17)28-26(30)7-4-14-32-24-6-3-2-5-21(24)27/h2-3,5-6,8-13,15-16H,4,7,14H2,1H3,(H,28,30)
InChIKeyDDYNTUJIWGDXFB-UHFFFAOYSA-N
XLogP5.92
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.92
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108730744
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730722
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
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
CID 108754317

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide (CID 108754377) is 4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide is COc1ccc2oc(-c3ccc(NC(=O)CCCOc4ccccc4Cl)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide?
The InChIKey is DDYNTUJIWGDXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO5/c1-31-19-12-13-23-20(15-19)22(29)16-25(33-23)17-8-10-18(11-9-17)28-26(30)7-4-14-32-24-6-3-2-5-21(24)27/h2-3,5-6,8-13,15-16H,4,7,14H2,1H3,(H,28,30).
What are the key properties of 4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide?
4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide has a molecular weight of 463.92 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide is sourced from PubChem (CID 108754377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).