N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide

C21H23IN2O2 — CID 28587698

IUPACN-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1I
InChIInChI=1S/C21H23IN2O2/c1-14-7-8-16(13-19(14)22)21(26)24-18-11-9-15(10-12-18)20(25)23-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyUQXLCYFLSWVTQD-UHFFFAOYSA-N
MW462.33 g/mol
LogP4.91
Rot. Bonds4

About N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide

N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide (PubChem CID 28587698) has the molecular formula C21H23IN2O2 and a molecular weight of 462.33 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
PubChem CID28587698
Molecular FormulaC21H23IN2O2
Molecular Weight462.33 g/mol
Exact Mass462.08
IUPAC NameN-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1I
InChIInChI=1S/C21H23IN2O2/c1-14-7-8-16(13-19(14)22)21(26)24-18-11-9-15(10-12-18)20(25)23-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyUQXLCYFLSWVTQD-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
4-benzamido-N-cyclopentylbenzamide
CID 1262350
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167470
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205667
methyl 4-[[3-(cycloheptylcarbamoyl)benzoyl]amino]benzoate
CID 109056131
3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
CID 119747179
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The IUPAC name of N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide (CID 28587698) is N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1I.
What is the InChIKey of N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The InChIKey is UQXLCYFLSWVTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23IN2O2/c1-14-7-8-16(13-19(14)22)21(26)24-18-11-9-15(10-12-18)20(25)23-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide has a molecular weight of 462.33 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide is sourced from PubChem (CID 28587698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).