N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide

C21H19IN2O5 — CID 151004457

IUPACN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccc(I)o2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C21H19IN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3
InChIKeyLUUINHUULZHSSK-UHFFFAOYSA-N
MW506.30 g/mol
LogP3.84
Rot. Bonds5

About N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide

N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide (PubChem CID 151004457) has the molecular formula C21H19IN2O5 and a molecular weight of 506.30 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide
PubChem CID151004457
Molecular FormulaC21H19IN2O5
Molecular Weight506.30 g/mol
Exact Mass506.03
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccc(I)o2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C21H19IN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3
InChIKeyLUUINHUULZHSSK-UHFFFAOYSA-N
XLogP3.84
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.30
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide (CID 151004457) is N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide is CN(C)C(=O)c1ccc(N(Cc2ccc(I)o2)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide?
The InChIKey is LUUINHUULZHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19IN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3.
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide?
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide has a molecular weight of 506.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-iodofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 151004457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).