4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide

C13H15IN2O3 — CID 113346648

IUPAC4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCOCC2C(N)=O)c1I
InChIInChI=1S/C13H15IN2O3/c1-8-3-2-4-9(11(8)14)13(18)16-5-6-19-7-10(16)12(15)17/h2-4,10H,5-7H2,1H3,(H2,15,17)
InChIKeySABNOUSXRLIEHN-UHFFFAOYSA-N
MW374.18 g/mol
LogP0.93
Rot. Bonds2

About 4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide

4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide (PubChem CID 113346648) has the molecular formula C13H15IN2O3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide
PubChem CID113346648
Molecular FormulaC13H15IN2O3
Molecular Weight374.18 g/mol
Exact Mass374.01
IUPAC Name4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCOCC2C(N)=O)c1I
InChIInChI=1S/C13H15IN2O3/c1-8-3-2-4-9(11(8)14)13(18)16-5-6-19-7-10(16)12(15)17/h2-4,10H,5-7H2,1H3,(H2,15,17)
InChIKeySABNOUSXRLIEHN-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
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-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
4-(3-chloro-2-nitrobenzoyl)morpholine-3-carboxamide
CID 83097351
4-(2-chloro-3-nitrobenzoyl)morpholine-3-carboxamide
CID 115931399
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
4-(5-amino-1H-pyrazole-4-carbonyl)morpholine-3-carboxamide
CID 83096092
4-[(2R)-2-hydroxy-4-phenylbutanoyl]morpholine-3-carboxamide
CID 173197768
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 83096346
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide (CID 113346648) is 4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide is Cc1cccc(C(=O)N2CCOCC2C(N)=O)c1I.
What is the InChIKey of 4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide?
The InChIKey is SABNOUSXRLIEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O3/c1-8-3-2-4-9(11(8)14)13(18)16-5-6-19-7-10(16)12(15)17/h2-4,10H,5-7H2,1H3,(H2,15,17).
What are the key properties of 4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide?
4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide has a molecular weight of 374.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 113346648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).