5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide

C13H15IN2O3 — CID 69149147

IUPAC5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide
SMILESC[C@@H]1COCCN1C(=O)c1ccc(I)cc1C(N)=O
InChIInChI=1S/C13H15IN2O3/c1-8-7-19-5-4-16(8)13(18)10-3-2-9(14)6-11(10)12(15)17/h2-3,6,8H,4-5,7H2,1H3,(H2,15,17)/t8-/m1/s1
InChIKeyYKLZKGNSSOJQCC-MRVPVSSYSA-N
MW374.18 g/mol
LogP1.25
Rot. Bonds2

About 5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide

5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide (PubChem CID 69149147) has the molecular formula C13H15IN2O3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide.

Molecular Properties

Compound Name5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide
PubChem CID69149147
Molecular FormulaC13H15IN2O3
Molecular Weight374.18 g/mol
Exact Mass374.01
IUPAC Name5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide
SMILESC[C@@H]1COCCN1C(=O)c1ccc(I)cc1C(N)=O
InChIInChI=1S/C13H15IN2O3/c1-8-7-19-5-4-16(8)13(18)10-3-2-9(14)6-11(10)12(15)17/h2-3,6,8H,4-5,7H2,1H3,(H2,15,17)/t8-/m1/s1
InChIKeyYKLZKGNSSOJQCC-MRVPVSSYSA-N
XLogP1.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 51.25
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-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106773568
(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone
CID 62059334
5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide
CID 174492355
[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone
CID 60822242
2-[(3S)-3-methylmorpholine-4-carbonyl]benzonitrile
CID 130179782
(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103989123
(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 103752337
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide?
The IUPAC name of 5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide (CID 69149147) is 5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide.
What is the SMILES notation for 5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide?
The canonical SMILES for 5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide is C[C@@H]1COCCN1C(=O)c1ccc(I)cc1C(N)=O.
What is the InChIKey of 5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide?
The InChIKey is YKLZKGNSSOJQCC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15IN2O3/c1-8-7-19-5-4-16(8)13(18)10-3-2-9(14)6-11(10)12(15)17/h2-3,6,8H,4-5,7H2,1H3,(H2,15,17)/t8-/m1/s1.
What are the key properties of 5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide?
5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide has a molecular weight of 374.18 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide is sourced from PubChem (CID 69149147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).