4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide

C13H14ClIN2O4 — CID 60607210

IUPAC4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)N1CCOC(C(N)=O)C1
InChIInChI=1S/C13H14ClIN2O4/c1-20-10-5-9(15)8(14)4-7(10)13(19)17-2-3-21-11(6-17)12(16)18/h4-5,11H,2-3,6H2,1H3,(H2,16,18)
InChIKeyXSYSCHQBJZSUJH-UHFFFAOYSA-N
MW424.62 g/mol
LogP1.28
Rot. Bonds3

About 4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide

4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide (PubChem CID 60607210) has the molecular formula C13H14ClIN2O4 and a molecular weight of 424.62 g/mol. Its IUPAC name is 4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide
PubChem CID60607210
Molecular FormulaC13H14ClIN2O4
Molecular Weight424.62 g/mol
Exact Mass423.97
IUPAC Name4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)N1CCOC(C(N)=O)C1
InChIInChI=1S/C13H14ClIN2O4/c1-20-10-5-9(15)8(14)4-7(10)13(19)17-2-3-21-11(6-17)12(16)18/h4-5,11H,2-3,6H2,1H3,(H2,16,18)
InChIKeyXSYSCHQBJZSUJH-UHFFFAOYSA-N
XLogP1.28
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.62
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90103957
4-(5-chloro-4-iodo-2-methoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 46412003
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 131960710
4-(5-chloro-4-iodo-2-methoxybenzoyl)piperazin-2-one
CID 47169147
methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
CID 115533203
(2R)-1-(5-chloro-4-iodo-2-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922032
N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
CID 79680362
(5-chloro-4-iodo-2-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102784997
2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 119247655
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbothioamide
CID 79674231
4-(2-hydroxy-3-methoxybenzoyl)morpholine-2-carbothioamide
CID 79674577

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide?
The IUPAC name of 4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide (CID 60607210) is 4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide is COc1cc(I)c(Cl)cc1C(=O)N1CCOC(C(N)=O)C1.
What is the InChIKey of 4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide?
The InChIKey is XSYSCHQBJZSUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN2O4/c1-20-10-5-9(15)8(14)4-7(10)13(19)17-2-3-21-11(6-17)12(16)18/h4-5,11H,2-3,6H2,1H3,(H2,16,18).
What are the key properties of 4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide?
4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide has a molecular weight of 424.62 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide is sourced from PubChem (CID 60607210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).