N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide

C15H21IN2O2 — CID 107732253

IUPACN-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCCN1)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C15H21IN2O2/c1-2-18(10-12-5-3-4-8-17-12)15(20)13-9-11(16)6-7-14(13)19/h6-7,9,12,17,19H,2-5,8,10H2,1H3
InChIKeyYFLWFEHAOPAENK-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.60
Rot. Bonds4

About N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide

N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 107732253) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide
PubChem CID107732253
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC NameN-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCCN1)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C15H21IN2O2/c1-2-18(10-12-5-3-4-8-17-12)15(20)13-9-11(16)6-7-14(13)19/h6-7,9,12,17,19H,2-5,8,10H2,1H3
InChIKeyYFLWFEHAOPAENK-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'}

Analyze N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-2-hydroxy-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732244
2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732251
5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide
CID 107725344
2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107725339
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626140
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide (CID 107732253) is N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide is CCN(CC1CCCCN1)C(=O)c1cc(I)ccc1O.
What is the InChIKey of N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is YFLWFEHAOPAENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-2-18(10-12-5-3-4-8-17-12)15(20)13-9-11(16)6-7-14(13)19/h6-7,9,12,17,19H,2-5,8,10H2,1H3.
What are the key properties of N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide?
N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide 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-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 107732253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).