N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide

C21H23IN2O2 — CID 68778177

IUPACN-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide
SMILESO=C(NC1CCCCCC1)c1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C21H23IN2O2/c22-19-13-6-5-12-18(19)21(26)24-17-11-7-8-15(14-17)20(25)23-16-9-3-1-2-4-10-16/h5-8,11-14,16H,1-4,9-10H2,(H,23,25)(H,24,26)
InChIKeyZTBBAJDXJOTQPP-UHFFFAOYSA-N
MW462.33 g/mol
LogP5.00
Rot. Bonds4

About N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide

N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide (PubChem CID 68778177) has the molecular formula C21H23IN2O2 and a molecular weight of 462.33 g/mol. Its IUPAC name is N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide
PubChem CID68778177
Molecular FormulaC21H23IN2O2
Molecular Weight462.33 g/mol
Exact Mass462.08
IUPAC NameN-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide
SMILESO=C(NC1CCCCCC1)c1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C21H23IN2O2/c22-19-13-6-5-12-18(19)21(26)24-17-11-7-8-15(14-17)20(25)23-16-9-3-1-2-4-10-16/h5-8,11-14,16H,1-4,9-10H2,(H,23,25)(H,24,26)
InChIKeyZTBBAJDXJOTQPP-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
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

3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
(E)-4-[3-(cyclohexylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17170491
N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide
CID 165128942

Frequently Asked Questions

What is the IUPAC name of N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide?
The IUPAC name of N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide (CID 68778177) is N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide is O=C(NC1CCCCCC1)c1cccc(NC(=O)c2ccccc2I)c1.
What is the InChIKey of N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide?
The InChIKey is ZTBBAJDXJOTQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23IN2O2/c22-19-13-6-5-12-18(19)21(26)24-17-11-7-8-15(14-17)20(25)23-16-9-3-1-2-4-10-16/h5-8,11-14,16H,1-4,9-10H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide?
N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide has a molecular weight of 462.33 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 68778177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).