N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide

C15H21IN2O2 — CID 104628315

IUPACN-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide
SMILESCN(CCNC(=O)c1ccc(I)c(O)c1)C1CCCC1
InChIInChI=1S/C15H21IN2O2/c1-18(12-4-2-3-5-12)9-8-17-15(20)11-6-7-13(16)14(19)10-11/h6-7,10,12,19H,2-5,8-9H2,1H3,(H,17,20)
InChIKeyYQDFLTOYAPXBIL-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.60
Rot. Bonds5

About N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide

N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide (PubChem CID 104628315) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide
PubChem CID104628315
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC NameN-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide
SMILESCN(CCNC(=O)c1ccc(I)c(O)c1)C1CCCC1
InChIInChI=1S/C15H21IN2O2/c1-18(12-4-2-3-5-12)9-8-17-15(20)11-6-7-13(16)14(19)10-11/h6-7,10,12,19H,2-5,8-9H2,1H3,(H,17,20)
InChIKeyYQDFLTOYAPXBIL-UHFFFAOYSA-N
XLogP2.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673447
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(ethylamino)benzamide
CID 63316486
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
CID 104627729
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 63317161
N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614971
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxy-4-methoxybenzamide
CID 63316349
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide (CID 104628315) is N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide is CN(CCNC(=O)c1ccc(I)c(O)c1)C1CCCC1.
What is the InChIKey of N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide?
The InChIKey is YQDFLTOYAPXBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-18(12-4-2-3-5-12)9-8-17-15(20)11-6-7-13(16)14(19)10-11/h6-7,10,12,19H,2-5,8-9H2,1H3,(H,17,20).
What are the key properties of N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide?
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide has a molecular weight of 388.25 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104628315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).