N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide

C15H21IN2O2 — CID 104627729

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(I)c(O)c2)CCCC1
InChIInChI=1S/C15H21IN2O2/c1-18(2)15(7-3-4-8-15)10-17-14(20)11-5-6-12(16)13(19)9-11/h5-6,9,19H,3-4,7-8,10H2,1-2H3,(H,17,20)
InChIKeyURJYHVLUTIWNHJ-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.60
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide (PubChem CID 104627729) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
PubChem CID104627729
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(I)c(O)c2)CCCC1
InChIInChI=1S/C15H21IN2O2/c1-18(2)15(7-3-4-8-15)10-17-14(20)11-5-6-12(16)13(19)9-11/h5-6,9,19H,3-4,7-8,10H2,1-2H3,(H,17,20)
InChIKeyURJYHVLUTIWNHJ-UHFFFAOYSA-N
XLogP2.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
CID 113434894
N-[[1-(dimethylamino)cyclopentyl]methyl]-1H-indole-6-carboxamide
CID 115282537
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
CID 83112832
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide
CID 104628315
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-methyl-4-nitrobenzamide
CID 16960831
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide (CID 104627729) is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide is CN(C)C1(CNC(=O)c2ccc(I)c(O)c2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide?
The InChIKey is URJYHVLUTIWNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-18(2)15(7-3-4-8-15)10-17-14(20)11-5-6-12(16)13(19)9-11/h5-6,9,19H,3-4,7-8,10H2,1-2H3,(H,17,20).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide has a molecular weight of 388.25 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).