3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide

C14H19ClINO2 — CID 114113915

IUPAC3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
SMILESCCOCC(NC(=O)c1ccc(I)c(Cl)c1)C(C)C
InChIInChI=1S/C14H19ClINO2/c1-4-19-8-13(9(2)3)17-14(18)10-5-6-12(16)11(15)7-10/h5-7,9,13H,4,8H2,1-3H3,(H,17,18)
InChIKeyIBTYRFJLRUZXJV-UHFFFAOYSA-N
MW395.67 g/mol
LogP3.74
Rot. Bonds6

About 3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide

3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide (PubChem CID 114113915) has the molecular formula C14H19ClINO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is 3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
PubChem CID114113915
Molecular FormulaC14H19ClINO2
Molecular Weight395.67 g/mol
Exact Mass395.01
IUPAC Name3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
SMILESCCOCC(NC(=O)c1ccc(I)c(Cl)c1)C(C)C
InChIInChI=1S/C14H19ClINO2/c1-4-19-8-13(9(2)3)17-14(18)10-5-6-12(16)11(15)7-10/h5-7,9,13H,4,8H2,1-3H3,(H,17,18)
InChIKeyIBTYRFJLRUZXJV-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.67
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(1-chloro-4-methylpentan-3-yl)-4-iodobenzamide
CID 106354755
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997
methyl (2S)-2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbutanoate
CID 113251860
3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 103222118
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
CID 106182456
4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 81002884
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
CID 103212326
4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65381406
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914
3-chloro-4-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103222227

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide (CID 114113915) is 3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide is CCOCC(NC(=O)c1ccc(I)c(Cl)c1)C(C)C.
What is the InChIKey of 3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide?
The InChIKey is IBTYRFJLRUZXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClINO2/c1-4-19-8-13(9(2)3)17-14(18)10-5-6-12(16)11(15)7-10/h5-7,9,13H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide?
3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide has a molecular weight of 395.67 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide is sourced from PubChem (CID 114113915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).