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

C11H12Cl2INO — CID 103212326

IUPAC3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
SMILESCCC(CCl)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H12Cl2INO/c1-2-8(6-12)15-11(16)7-3-4-10(14)9(13)5-7/h3-5,8H,2,6H2,1H3,(H,15,16)
InChIKeyWYJWVFCBKBHEBB-UHFFFAOYSA-N
MW372.03 g/mol
LogP3.69
Rot. Bonds4

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

3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide (PubChem CID 103212326) has the molecular formula C11H12Cl2INO and a molecular weight of 372.03 g/mol. Its IUPAC name is 3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
PubChem CID103212326
Molecular FormulaC11H12Cl2INO
Molecular Weight372.03 g/mol
Exact Mass370.93
IUPAC Name3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
SMILESCCC(CCl)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H12Cl2INO/c1-2-8(6-12)15-11(16)7-3-4-10(14)9(13)5-7/h3-5,8H,2,6H2,1H3,(H,15,16)
InChIKeyWYJWVFCBKBHEBB-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.03
LogP ≤ 53.69
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-chloro-4-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103222227
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
CID 106182456
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997
3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 103222118
N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
N-(2-aminobutyl)-3-chloro-4-iodobenzamide
CID 103209439
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-4-iodobenzamide
CID 106354755
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
CID 103209174
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
N-(1-chloro-4-methylpentan-2-yl)-3-hydroxy-4-iodobenzamide
CID 114103948
3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
CID 114113915

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide (CID 103212326) is 3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide is CCC(CCl)NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide?
The InChIKey is WYJWVFCBKBHEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2INO/c1-2-8(6-12)15-11(16)7-3-4-10(14)9(13)5-7/h3-5,8H,2,6H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide?
3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide has a molecular weight of 372.03 g/mol, XLogP of 3.69, 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-chlorobutan-2-yl)-4-iodobenzamide is sourced from PubChem (CID 103212326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).