4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide

C17H23ClINO — CID 107606787

IUPAC4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(I)cc2Cl)CC1
InChIInChI=1S/C17H23ClINO/c1-2-3-4-12-5-7-13(8-6-12)17(21)20-16-10-9-14(19)11-15(16)18/h9-13H,2-8H2,1H3,(H,20,21)
InChIKeyICPUQYCUEBERCW-UHFFFAOYSA-N
MW419.73 g/mol
LogP5.88
Rot. Bonds5

About 4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide

4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide (PubChem CID 107606787) has the molecular formula C17H23ClINO and a molecular weight of 419.73 g/mol. Its IUPAC name is 4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide
PubChem CID107606787
Molecular FormulaC17H23ClINO
Molecular Weight419.73 g/mol
Exact Mass419.05
IUPAC Name4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(I)cc2Cl)CC1
InChIInChI=1S/C17H23ClINO/c1-2-3-4-12-5-7-13(8-6-12)17(21)20-16-10-9-14(19)11-15(16)18/h9-13H,2-8H2,1H3,(H,20,21)
InChIKeyICPUQYCUEBERCW-UHFFFAOYSA-N
XLogP5.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.73
LogP ≤ 55.88
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

N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide
CID 171064344
N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 91659324
4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 19206893
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
(4-butylcyclohexyl)-(4-iodophenyl)methanone
CID 43338206
N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
CID 19207017
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide (CID 107606787) is 4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2ccc(I)cc2Cl)CC1.
What is the InChIKey of 4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide?
The InChIKey is ICPUQYCUEBERCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClINO/c1-2-3-4-12-5-7-13(8-6-12)17(21)20-16-10-9-14(19)11-15(16)18/h9-13H,2-8H2,1H3,(H,20,21).
What are the key properties of 4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide?
4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide has a molecular weight of 419.73 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107606787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).