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

C12H14ClFINO — CID 107859993

IUPAC2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CI)NC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C12H14ClFINO/c1-7(2)10(6-15)16-12(17)8-4-3-5-9(14)11(8)13/h3-5,7,10H,6H2,1-2H3,(H,16,17)
InChIKeyNYOVQSVEXSNVFJ-UHFFFAOYSA-N
MW369.61 g/mol
LogP3.67
Rot. Bonds4

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

2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide (PubChem CID 107859993) has the molecular formula C12H14ClFINO and a molecular weight of 369.61 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
PubChem CID107859993
Molecular FormulaC12H14ClFINO
Molecular Weight369.61 g/mol
Exact Mass368.98
IUPAC Name2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CI)NC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C12H14ClFINO/c1-7(2)10(6-15)16-12(17)8-4-3-5-9(14)11(8)13/h3-5,7,10H,6H2,1-2H3,(H,16,17)
InChIKeyNYOVQSVEXSNVFJ-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

2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
2-chloro-N-(1-iodo-3-methylbutan-2-yl)-3-methylbenzamide
CID 107859884
N-(1-bromo-4-methylpentan-3-yl)-2-chloro-3-fluorobenzamide
CID 114177751
3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107860048
3-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-2-methylbenzamide
CID 107859822
N-(1-iodo-3-methylbutan-2-yl)-2-methylsulfanylbenzamide
CID 107860038
2-[(2-chloro-3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 81361459
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
(2S)-2-[(2-chloro-3-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 81362000
2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid
CID 81453778
2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113268438
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
CID 81461199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide (CID 107859993) is 2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide is CC(C)C(CI)NC(=O)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The InChIKey is NYOVQSVEXSNVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFINO/c1-7(2)10(6-15)16-12(17)8-4-3-5-9(14)11(8)13/h3-5,7,10H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
2-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 2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 107859993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).