N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide

C24H14BrNO4 — CID 135024757

IUPACN-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(Br)cc2)oc2c1c(=O)oc1ccccc12)c1ccccc1
InChIInChI=1S/C24H14BrNO4/c25-16-12-10-14(11-13-16)21-20(26-23(27)15-6-2-1-3-7-15)19-22(30-21)17-8-4-5-9-18(17)29-24(19)28/h1-13H,(H,26,27)
InChIKeySILUTKJZKBKSLI-UHFFFAOYSA-N
MW460.28 g/mol
LogP6.22
Rot. Bonds3

About N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide

N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide (PubChem CID 135024757) has the molecular formula C24H14BrNO4 and a molecular weight of 460.28 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide
PubChem CID135024757
Molecular FormulaC24H14BrNO4
Molecular Weight460.28 g/mol
Exact Mass459.01
IUPAC NameN-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(Br)cc2)oc2c1c(=O)oc1ccccc12)c1ccccc1
InChIInChI=1S/C24H14BrNO4/c25-16-12-10-14(11-13-16)21-20(26-23(27)15-6-2-1-3-7-15)19-22(30-21)17-8-4-5-9-18(17)29-24(19)28/h1-13H,(H,26,27)
InChIKeySILUTKJZKBKSLI-UHFFFAOYSA-N
XLogP6.22
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.28
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide 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

N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide
CID 4900984
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide
CID 17251986
3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one
CID 138982502
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
N-(2,4-diethyldibenzofuran-1-yl)benzamide
CID 123671650
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxofuro[3,2-c]chromen-3-yl]acetic acid
CID 125427913
3-[(1R)-3-[4-(4-bromophenyl)phenyl]-3-oxo-1-phenylpropyl]-4-hydroxychromen-2-one
CID 54718697
2-[2-(4-hydroxy-3-methoxycarbonylphenyl)-4-oxofuro[3,2-c]chromen-3-yl]acetic acid
CID 125428588
N-(4-oxo-2,6-diphenylpyran-3-yl)benzamide
CID 981585
3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one
CID 122379715
4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide
CID 12026254

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide?
The IUPAC name of N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide (CID 135024757) is N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide?
The canonical SMILES for N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide is O=C(Nc1c(-c2ccc(Br)cc2)oc2c1c(=O)oc1ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide?
The InChIKey is SILUTKJZKBKSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrNO4/c25-16-12-10-14(11-13-16)21-20(26-23(27)15-6-2-1-3-7-15)19-22(30-21)17-8-4-5-9-18(17)29-24(19)28/h1-13H,(H,26,27).
What are the key properties of N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide?
N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide has a molecular weight of 460.28 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide is sourced from PubChem (CID 135024757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).