3-chloro-N-cyclobutyl-5-iodobenzamide

C11H11ClINO — CID 139600426

IUPAC3-chloro-N-cyclobutyl-5-iodobenzamide
SMILESO=C(NC1CCC1)c1cc(Cl)cc(I)c1
InChIInChI=1S/C11H11ClINO/c12-8-4-7(5-9(13)6-8)11(15)14-10-2-1-3-10/h4-6,10H,1-3H2,(H,14,15)
InChIKeyULUDMRZGWBQXTP-UHFFFAOYSA-N
MW335.57 g/mol
LogP3.23
Rot. Bonds2

About 3-chloro-N-cyclobutyl-5-iodobenzamide

3-chloro-N-cyclobutyl-5-iodobenzamide (PubChem CID 139600426) has the molecular formula C11H11ClINO and a molecular weight of 335.57 g/mol. Its IUPAC name is 3-chloro-N-cyclobutyl-5-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclobutyl-5-iodobenzamide
PubChem CID139600426
Molecular FormulaC11H11ClINO
Molecular Weight335.57 g/mol
Exact Mass334.96
IUPAC Name3-chloro-N-cyclobutyl-5-iodobenzamide
SMILESO=C(NC1CCC1)c1cc(Cl)cc(I)c1
InChIInChI=1S/C11H11ClINO/c12-8-4-7(5-9(13)6-8)11(15)14-10-2-1-3-10/h4-6,10H,1-3H2,(H,14,15)
InChIKeyULUDMRZGWBQXTP-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 80948177
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3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride
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4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289
3-chloro-N-(4-chlorocyclohexyl)-5-nitrobenzamide
CID 114297283
3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide
CID 95983840
3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 46476936
1-N-cyclopentyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109044538
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
3-amino-4,5-dichloro-N-cyclooctylbenzamide
CID 61090105
3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide
CID 172648743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclobutyl-5-iodobenzamide?
The IUPAC name of 3-chloro-N-cyclobutyl-5-iodobenzamide (CID 139600426) is 3-chloro-N-cyclobutyl-5-iodobenzamide.
What is the SMILES notation for 3-chloro-N-cyclobutyl-5-iodobenzamide?
The canonical SMILES for 3-chloro-N-cyclobutyl-5-iodobenzamide is O=C(NC1CCC1)c1cc(Cl)cc(I)c1.
What is the InChIKey of 3-chloro-N-cyclobutyl-5-iodobenzamide?
The InChIKey is ULUDMRZGWBQXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO/c12-8-4-7(5-9(13)6-8)11(15)14-10-2-1-3-10/h4-6,10H,1-3H2,(H,14,15).
What are the key properties of 3-chloro-N-cyclobutyl-5-iodobenzamide?
3-chloro-N-cyclobutyl-5-iodobenzamide has a molecular weight of 335.57 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclobutyl-5-iodobenzamide is sourced from PubChem (CID 139600426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).