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

C20H21IN2O3 — CID 17205667

IUPAC3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1I
InChIInChI=1S/C20H21IN2O3/c1-13-4-5-15(11-18(13)21)20(25)23-16-8-6-14(7-9-16)19(24)22-12-17-3-2-10-26-17/h4-9,11,17H,2-3,10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyNUYKHNSYQUKNIK-UHFFFAOYSA-N
MW464.30 g/mol
LogP3.76
Rot. Bonds5

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

3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 17205667) has the molecular formula C20H21IN2O3 and a molecular weight of 464.30 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID17205667
Molecular FormulaC20H21IN2O3
Molecular Weight464.30 g/mol
Exact Mass464.06
IUPAC Name3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1I
InChIInChI=1S/C20H21IN2O3/c1-13-4-5-15(11-18(13)21)20(25)23-16-8-6-14(7-9-16)19(24)22-12-17-3-2-10-26-17/h4-9,11,17H,2-3,10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyNUYKHNSYQUKNIK-UHFFFAOYSA-N
XLogP3.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.30
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205639
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (CID 17205667) is 3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1I.
What is the InChIKey of 3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is NUYKHNSYQUKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21IN2O3/c1-13-4-5-15(11-18(13)21)20(25)23-16-8-6-14(7-9-16)19(24)22-12-17-3-2-10-26-17/h4-9,11,17H,2-3,10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 464.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17205667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).