3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide

C14H19IN2O2 — CID 134052243

IUPAC3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCOCC2)cc1I
InChIInChI=1S/C14H19IN2O2/c1-11-2-3-12(10-13(11)15)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18)
InChIKeyFVWNTSPULNHDCI-UHFFFAOYSA-N
MW374.22 g/mol
LogP1.66
Rot. Bonds4

About 3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide

3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 134052243) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID134052243
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCOCC2)cc1I
InChIInChI=1S/C14H19IN2O2/c1-11-2-3-12(10-13(11)15)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18)
InChIKeyFVWNTSPULNHDCI-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
1-methyl-N-(2-morpholin-4-ylethyl)indole-6-carboxamide
CID 112520338
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 103706316
N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20955162
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 134052243) is 3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(C(=O)NCCN2CCOCC2)cc1I.
What is the InChIKey of 3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is FVWNTSPULNHDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-11-2-3-12(10-13(11)15)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18).
What are the key properties of 3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 374.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 134052243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).