3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

C20H21IN2O4 — CID 17205639

IUPAC3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1I
InChIInChI=1S/C20H21IN2O4/c1-26-18-9-6-14(11-17(18)21)20(25)23-15-7-4-13(5-8-15)19(24)22-12-16-3-2-10-27-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyGTYRKNNOETWBIF-UHFFFAOYSA-N
MW480.30 g/mol
LogP3.46
Rot. Bonds6

About 3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 17205639) has the molecular formula C20H21IN2O4 and a molecular weight of 480.30 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID17205639
Molecular FormulaC20H21IN2O4
Molecular Weight480.30 g/mol
Exact Mass480.05
IUPAC Name3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1I
InChIInChI=1S/C20H21IN2O4/c1-26-18-9-6-14(11-17(18)21)20(25)23-15-7-4-13(5-8-15)19(24)22-12-16-3-2-10-27-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyGTYRKNNOETWBIF-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205667
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (CID 17205639) is 3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is GTYRKNNOETWBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21IN2O4/c1-26-18-9-6-14(11-17(18)21)20(25)23-15-7-4-13(5-8-15)19(24)22-12-16-3-2-10-27-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 480.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17205639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).