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

C12H14Cl2INO — CID 103212403

IUPAC3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide
SMILESCCC(C)(CCl)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H14Cl2INO/c1-3-12(2,7-13)16-11(17)8-4-5-10(15)9(14)6-8/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyBUNUMNHQQBBRST-UHFFFAOYSA-N
MW386.06 g/mol
LogP4.08
Rot. Bonds4

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

3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide (PubChem CID 103212403) has the molecular formula C12H14Cl2INO and a molecular weight of 386.06 g/mol. Its IUPAC name is 3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide
PubChem CID103212403
Molecular FormulaC12H14Cl2INO
Molecular Weight386.06 g/mol
Exact Mass384.95
IUPAC Name3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide
SMILESCCC(C)(CCl)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H14Cl2INO/c1-3-12(2,7-13)16-11(17)8-4-5-10(15)9(14)6-8/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyBUNUMNHQQBBRST-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.06
LogP ≤ 54.08
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

3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
CID 104628403
3-bromo-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 114303771
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503133
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
CID 103212326
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 106863915
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914
3-chloro-4-iodobenzoic acid
CID 18953341
N-(1-chloro-2-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 114303886
N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 114303570

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide (CID 103212403) is 3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide is CCC(C)(CCl)NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide?
The InChIKey is BUNUMNHQQBBRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2INO/c1-3-12(2,7-13)16-11(17)8-4-5-10(15)9(14)6-8/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide?
3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide has a molecular weight of 386.06 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide is sourced from PubChem (CID 103212403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).