4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide

C19H20IN3O3 — CID 55527587

IUPAC4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C19H20IN3O3/c20-14-5-3-13(4-6-14)18(24)22-15-7-9-16(10-8-15)23-19(25)21-12-17-2-1-11-26-17/h3-10,17H,1-2,11-12H2,(H,22,24)(H2,21,23,25)
InChIKeyKAQFAGXTEUZZIU-UHFFFAOYSA-N
MW465.29 g/mol
LogP3.84
Rot. Bonds5

About 4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide

4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide (PubChem CID 55527587) has the molecular formula C19H20IN3O3 and a molecular weight of 465.29 g/mol. Its IUPAC name is 4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
PubChem CID55527587
Molecular FormulaC19H20IN3O3
Molecular Weight465.29 g/mol
Exact Mass465.05
IUPAC Name4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C19H20IN3O3/c20-14-5-3-13(4-6-14)18(24)22-15-7-9-16(10-8-15)23-19(25)21-12-17-2-1-11-26-17/h3-10,17H,1-2,11-12H2,(H,22,24)(H2,21,23,25)
InChIKeyKAQFAGXTEUZZIU-UHFFFAOYSA-N
XLogP3.84
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.29
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205667
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 134050539

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide (CID 55527587) is 4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide is O=C(NCC1CCCO1)Nc1ccc(NC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of 4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The InChIKey is KAQFAGXTEUZZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O3/c20-14-5-3-13(4-6-14)18(24)22-15-7-9-16(10-8-15)23-19(25)21-12-17-2-1-11-26-17/h3-10,17H,1-2,11-12H2,(H,22,24)(H2,21,23,25).
What are the key properties of 4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide has a molecular weight of 465.29 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 55527587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).