N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide

C25H20ClNO4 — CID 11947973

IUPACN-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide
SMILESO=C(Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12)NCc1ccccc1
InChIInChI=1S/C25H20ClNO4/c26-20-8-4-7-18(11-20)16-30-21-9-10-22-19(13-25(29)31-23(22)14-21)12-24(28)27-15-17-5-2-1-3-6-17/h1-11,13-14H,12,15-16H2,(H,27,28)
InChIKeyRCUXXKKYRUQYRR-UHFFFAOYSA-N
MW433.89 g/mol
LogP4.88
Rot. Bonds7

About N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide

N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide (PubChem CID 11947973) has the molecular formula C25H20ClNO4 and a molecular weight of 433.89 g/mol. Its IUPAC name is N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide
PubChem CID11947973
Molecular FormulaC25H20ClNO4
Molecular Weight433.89 g/mol
Exact Mass433.11
IUPAC NameN-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide
SMILESO=C(Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12)NCc1ccccc1
InChIInChI=1S/C25H20ClNO4/c26-20-8-4-7-18(11-20)16-30-21-9-10-22-19(13-25(29)31-23(22)14-21)12-24(28)27-15-17-5-2-1-3-6-17/h1-11,13-14H,12,15-16H2,(H,27,28)
InChIKeyRCUXXKKYRUQYRR-UHFFFAOYSA-N
XLogP4.88
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide (CID 11947973) is N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide is O=C(Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide?
The InChIKey is RCUXXKKYRUQYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO4/c26-20-8-4-7-18(11-20)16-30-21-9-10-22-19(13-25(29)31-23(22)14-21)12-24(28)27-15-17-5-2-1-3-6-17/h1-11,13-14H,12,15-16H2,(H,27,28).
What are the key properties of N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide?
N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide has a molecular weight of 433.89 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide is sourced from PubChem (CID 11947973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).