N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide

C13H18INO2 — CID 61039022

IUPACN-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1ccccc1I
InChIInChI=1S/C13H18INO2/c1-10(2)15(8-5-9-16)13(17)11-6-3-4-7-12(11)14/h3-4,6-7,10,16H,5,8-9H2,1-2H3
InChIKeyGGTUNDGJPCMHCA-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.52
Rot. Bonds5

About N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide

N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide (PubChem CID 61039022) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
PubChem CID61039022
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1ccccc1I
InChIInChI=1S/C13H18INO2/c1-10(2)15(8-5-9-16)13(17)11-6-3-4-7-12(11)14/h3-4,6-7,10,16H,5,8-9H2,1-2H3
InChIKeyGGTUNDGJPCMHCA-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951561
3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide
CID 107097730
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
CID 61400671
1-amino-N-(3-hydroxypropyl)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106771545
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867
5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide
CID 43573631
N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040244
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide (CID 61039022) is N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide is CC(C)N(CCCO)C(=O)c1ccccc1I.
What is the InChIKey of N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide?
The InChIKey is GGTUNDGJPCMHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-10(2)15(8-5-9-16)13(17)11-6-3-4-7-12(11)14/h3-4,6-7,10,16H,5,8-9H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide?
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide has a molecular weight of 347.20 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide is sourced from PubChem (CID 61039022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).