2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

C15H19IN2O3 — CID 78880040

IUPAC2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESCc1cccc(C(=O)N(C)CC(=O)N2CCOCC2)c1I
InChIInChI=1S/C15H19IN2O3/c1-11-4-3-5-12(14(11)16)15(20)17(2)10-13(19)18-6-8-21-9-7-18/h3-5H,6-10H2,1-2H3
InChIKeyFHMAABYIUUCBCM-UHFFFAOYSA-N
MW402.23 g/mol
LogP1.53
Rot. Bonds3

About 2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (PubChem CID 78880040) has the molecular formula C15H19IN2O3 and a molecular weight of 402.23 g/mol. Its IUPAC name is 2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.

Molecular Properties

Compound Name2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
PubChem CID78880040
Molecular FormulaC15H19IN2O3
Molecular Weight402.23 g/mol
Exact Mass402.04
IUPAC Name2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESCc1cccc(C(=O)N(C)CC(=O)N2CCOCC2)c1I
InChIInChI=1S/C15H19IN2O3/c1-11-4-3-5-12(14(11)16)15(20)17(2)10-13(19)18-6-8-21-9-7-18/h3-5H,6-10H2,1-2H3
InChIKeyFHMAABYIUUCBCM-UHFFFAOYSA-N
XLogP1.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 51.53
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

N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 78861411
3-(4-fluorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazole-4-carboxamide
CID 16573857
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 16573863
N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 78850481
4-[(2-iodo-3-methylbenzoyl)-methylamino]butanoic acid
CID 103790174
N,3-dimethyl-2-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454588
2-amino-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpropanamide
CID 120588933
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone
CID 71047340
N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide
CID 103896465

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The IUPAC name of 2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (CID 78880040) is 2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.
What is the SMILES notation for 2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The canonical SMILES for 2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is Cc1cccc(C(=O)N(C)CC(=O)N2CCOCC2)c1I.
What is the InChIKey of 2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The InChIKey is FHMAABYIUUCBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O3/c1-11-4-3-5-12(14(11)16)15(20)17(2)10-13(19)18-6-8-21-9-7-18/h3-5H,6-10H2,1-2H3.
What are the key properties of 2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide has a molecular weight of 402.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is sourced from PubChem (CID 78880040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).