N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide

C15H21IN2O — CID 81487660

IUPACN-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
SMILESNCC(NC(=O)c1ccccc1I)C1CCCCC1
InChIInChI=1S/C15H21IN2O/c16-13-9-5-4-8-12(13)15(19)18-14(10-17)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10,17H2,(H,18,19)
InChIKeyCVLYYSDUUIZQDV-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.93
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide

N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide (PubChem CID 81487660) has the molecular formula C15H21IN2O and a molecular weight of 372.25 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
PubChem CID81487660
Molecular FormulaC15H21IN2O
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
SMILESNCC(NC(=O)c1ccccc1I)C1CCCCC1
InChIInChI=1S/C15H21IN2O/c16-13-9-5-4-8-12(13)15(19)18-14(10-17)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10,17H2,(H,18,19)
InChIKeyCVLYYSDUUIZQDV-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.93
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-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride
CID 119589063
N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
CID 106737225
N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride
CID 119592223
N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 119591890
N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
CID 119591550
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
CID 119589172
N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
CID 106737470

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide (CID 81487660) is N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide is NCC(NC(=O)c1ccccc1I)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide?
The InChIKey is CVLYYSDUUIZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O/c16-13-9-5-4-8-12(13)15(19)18-14(10-17)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10,17H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide?
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide has a molecular weight of 372.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide is sourced from PubChem (CID 81487660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).