4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide

C12H14ClFINO — CID 107994502

IUPAC4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CI)NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14ClFINO/c1-7(2)11(6-15)16-12(17)8-3-4-9(13)10(14)5-8/h3-5,7,11H,6H2,1-2H3,(H,16,17)
InChIKeyJDTDLYHPYPHWKK-UHFFFAOYSA-N
MW369.61 g/mol
LogP3.67
Rot. Bonds4

About 4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide

4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide (PubChem CID 107994502) has the molecular formula C12H14ClFINO and a molecular weight of 369.61 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
PubChem CID107994502
Molecular FormulaC12H14ClFINO
Molecular Weight369.61 g/mol
Exact Mass368.98
IUPAC Name4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CI)NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14ClFINO/c1-7(2)11(6-15)16-12(17)8-3-4-9(13)10(14)5-8/h3-5,7,11H,6H2,1-2H3,(H,16,17)
InChIKeyJDTDLYHPYPHWKK-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.61
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(1-iodo-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 107859911
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
(2S,3R)-2-[(4-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid
CID 114025765
N-(1-chloro-3-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114305513
3-fluoro-N-(1-iodo-3-methylbutan-2-yl)-5-methylbenzamide
CID 107859792
2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859993
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
N-(1-bromopentan-3-yl)-4-chloro-3-fluorobenzamide
CID 107994226
3-[(4-chloro-3-fluorobenzoyl)amino]hexanoic acid
CID 106703685
4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859840
N-(1-chloro-3-methylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113273517

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide (CID 107994502) is 4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide is CC(C)C(CI)NC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The InChIKey is JDTDLYHPYPHWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFINO/c1-7(2)11(6-15)16-12(17)8-3-4-9(13)10(14)5-8/h3-5,7,11H,6H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide has a molecular weight of 369.61 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 107994502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).