2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide

C14H19IN2O3 — CID 107732251

IUPAC2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1cc(I)ccc1O)N(CCO)CC1CCCN1
InChIInChI=1S/C14H19IN2O3/c15-10-3-4-13(19)12(8-10)14(20)17(6-7-18)9-11-2-1-5-16-11/h3-4,8,11,16,18-19H,1-2,5-7,9H2
InChIKeyOCGJVNKOQLRWDE-UHFFFAOYSA-N
MW390.22 g/mol
LogP1.18
Rot. Bonds5

About 2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide

2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 107732251) has the molecular formula C14H19IN2O3 and a molecular weight of 390.22 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID107732251
Molecular FormulaC14H19IN2O3
Molecular Weight390.22 g/mol
Exact Mass390.04
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1cc(I)ccc1O)N(CCO)CC1CCCN1
InChIInChI=1S/C14H19IN2O3/c15-10-3-4-13(19)12(8-10)14(20)17(6-7-18)9-11-2-1-5-16-11/h3-4,8,11,16,18-19H,1-2,5-7,9H2
InChIKeyOCGJVNKOQLRWDE-UHFFFAOYSA-N
XLogP1.18
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107725339
N-(cyclopropylmethyl)-2-hydroxy-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732244
N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide
CID 107732253
5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide
CID 106612620
2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612857
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 107963789
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107728841
N-(2-hydroxyethyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106613006

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide (CID 107732251) is 2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(c1cc(I)ccc1O)N(CCO)CC1CCCN1.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is OCGJVNKOQLRWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O3/c15-10-3-4-13(19)12(8-10)14(20)17(6-7-18)9-11-2-1-5-16-11/h3-4,8,11,16,18-19H,1-2,5-7,9H2.
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide?
2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 390.22 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 107732251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).