5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide

C13H15ClINO3 — CID 78957032

IUPAC5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCC1(C)COC1
InChIInChI=1S/C13H15ClINO3/c1-13(6-19-7-13)5-16-12(17)8-3-9(14)10(15)4-11(8)18-2/h3-4H,5-7H2,1-2H3,(H,16,17)
InChIKeySEWOGTVMEYMCTG-UHFFFAOYSA-N
MW395.62 g/mol
LogP2.72
Rot. Bonds4

About 5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide

5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 78957032) has the molecular formula C13H15ClINO3 and a molecular weight of 395.62 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID78957032
Molecular FormulaC13H15ClINO3
Molecular Weight395.62 g/mol
Exact Mass394.98
IUPAC Name5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCC1(C)COC1
InChIInChI=1S/C13H15ClINO3/c1-13(6-19-7-13)5-16-12(17)8-3-9(14)10(15)4-11(8)18-2/h3-4H,5-7H2,1-2H3,(H,16,17)
InChIKeySEWOGTVMEYMCTG-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.62
LogP ≤ 52.72
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

5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957154
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957615
5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
CID 103770514
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide
CID 103839551
4-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-3-methoxybutanoic acid
CID 103153008

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 78957032) is 5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide is COc1cc(I)c(Cl)cc1C(=O)NCC1(C)COC1.
What is the InChIKey of 5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is SEWOGTVMEYMCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO3/c1-13(6-19-7-13)5-16-12(17)8-3-9(14)10(15)4-11(8)18-2/h3-4H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 395.62 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 78957032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).