N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide

C18H19IN2O2 — CID 589919

IUPACN-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H19IN2O2/c19-16-5-7-17(8-6-16)20-18(22)15-3-1-14(2-4-15)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyZOFBYPLMJZJZIK-UHFFFAOYSA-N
MW422.27 g/mol
LogP3.38
Rot. Bonds4

About N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide

N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 589919) has the molecular formula C18H19IN2O2 and a molecular weight of 422.27 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide
PubChem CID589919
Molecular FormulaC18H19IN2O2
Molecular Weight422.27 g/mol
Exact Mass422.05
IUPAC NameN-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H19IN2O2/c19-16-5-7-17(8-6-16)20-18(22)15-3-1-14(2-4-15)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyZOFBYPLMJZJZIK-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide (CID 589919) is N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide is O=C(Nc1ccc(I)cc1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is ZOFBYPLMJZJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O2/c19-16-5-7-17(8-6-16)20-18(22)15-3-1-14(2-4-15)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide?
N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 422.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 589919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).