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

C14H19IN2O2 — CID 163865741

IUPAC3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCN(CCN1CCOCC1)C(=O)c1cccc(I)c1
InChIInChI=1S/C14H19IN2O2/c1-16(5-6-17-7-9-19-10-8-17)14(18)12-3-2-4-13(15)11-12/h2-4,11H,5-10H2,1H3
InChIKeyPGLJJZGGANTYMD-UHFFFAOYSA-N
MW374.22 g/mol
LogP1.70
Rot. Bonds4

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

3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 163865741) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID163865741
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCN(CCN1CCOCC1)C(=O)c1cccc(I)c1
InChIInChI=1S/C14H19IN2O2/c1-16(5-6-17-7-9-19-10-8-17)14(18)12-3-2-4-13(15)11-12/h2-4,11H,5-10H2,1H3
InChIKeyPGLJJZGGANTYMD-UHFFFAOYSA-N
XLogP1.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110753209
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
3-hydroxy-4-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104628289
4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 56783436
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 22954090
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 123601424
3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide
CID 71975368
(2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126443915

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 163865741) is 3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide is CN(CCN1CCOCC1)C(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is PGLJJZGGANTYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-16(5-6-17-7-9-19-10-8-17)14(18)12-3-2-4-13(15)11-12/h2-4,11H,5-10H2,1H3.
What are the key properties of 3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide?
3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 374.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 163865741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).