2-hydroxy-5-iodo-N,N-dipropylbenzamide

C13H18INO2 — CID 103602027

IUPAC2-hydroxy-5-iodo-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C13H18INO2/c1-3-7-15(8-4-2)13(17)11-9-10(14)5-6-12(11)16/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyZREVHCKIAYNZNH-UHFFFAOYSA-N
MW347.20 g/mol
LogP3.26
Rot. Bonds5

About 2-hydroxy-5-iodo-N,N-dipropylbenzamide

2-hydroxy-5-iodo-N,N-dipropylbenzamide (PubChem CID 103602027) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N,N-dipropylbenzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N,N-dipropylbenzamide
PubChem CID103602027
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC Name2-hydroxy-5-iodo-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C13H18INO2/c1-3-7-15(8-4-2)13(17)11-9-10(14)5-6-12(11)16/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyZREVHCKIAYNZNH-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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

N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 103873674
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 107722509
N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732592
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
2-hydroxy-5-iodo-N-methyl-N-(3-methylbutyl)benzamide
CID 103612713
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732147
N-(5-bromopentyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732751
2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 113226775

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N,N-dipropylbenzamide?
The IUPAC name of 2-hydroxy-5-iodo-N,N-dipropylbenzamide (CID 103602027) is 2-hydroxy-5-iodo-N,N-dipropylbenzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N,N-dipropylbenzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N,N-dipropylbenzamide?
The InChIKey is ZREVHCKIAYNZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-3-7-15(8-4-2)13(17)11-9-10(14)5-6-12(11)16/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of 2-hydroxy-5-iodo-N,N-dipropylbenzamide?
2-hydroxy-5-iodo-N,N-dipropylbenzamide has a molecular weight of 347.20 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N,N-dipropylbenzamide is sourced from PubChem (CID 103602027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).