N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide

C12H14INO2 — CID 104628967

IUPACN-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
SMILESO=C(NCCC1CC1)c1ccc(I)c(O)c1
InChIInChI=1S/C12H14INO2/c13-10-4-3-9(7-11(10)15)12(16)14-6-5-8-1-2-8/h3-4,7-8,15H,1-2,5-6H2,(H,14,16)
InChIKeyHJGFNATYEITHQV-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.53
Rot. Bonds4

About N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide

N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104628967) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
PubChem CID104628967
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC NameN-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
SMILESO=C(NCCC1CC1)c1ccc(I)c(O)c1
InChIInChI=1S/C12H14INO2/c13-10-4-3-9(7-11(10)15)12(16)14-6-5-8-1-2-8/h3-4,7-8,15H,1-2,5-6H2,(H,14,16)
InChIKeyHJGFNATYEITHQV-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide
CID 103221269
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide
CID 104628315
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
CID 107168316
3-hydroxy-4-iodo-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 104627726
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
CID 104628255
3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
CID 91584143
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
CID 104627715
N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
CID 104627387

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide (CID 104628967) is N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide is O=C(NCCC1CC1)c1ccc(I)c(O)c1.
What is the InChIKey of N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is HJGFNATYEITHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c13-10-4-3-9(7-11(10)15)12(16)14-6-5-8-1-2-8/h3-4,7-8,15H,1-2,5-6H2,(H,14,16).
What are the key properties of N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide?
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 331.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104628967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).