N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide

C12H14INO2 — CID 104627471

IUPACN-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
SMILESCC(NC(=O)c1ccc(I)c(O)c1)C1CC1
InChIInChI=1S/C12H14INO2/c1-7(8-2-3-8)14-12(16)9-4-5-10(13)11(15)6-9/h4-8,15H,2-3H2,1H3,(H,14,16)
InChIKeyKRWXXGBSVXHSGO-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.53
Rot. Bonds3

About N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide

N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104627471) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
PubChem CID104627471
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC NameN-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
SMILESCC(NC(=O)c1ccc(I)c(O)c1)C1CC1
InChIInChI=1S/C12H14INO2/c1-7(8-2-3-8)14-12(16)9-4-5-10(13)11(15)6-9/h4-8,15H,2-3H2,1H3,(H,14,16)
InChIKeyKRWXXGBSVXHSGO-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 104627700
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
CID 103222229
N-(1-cyclopentylethyl)-3-hydroxy-4-methoxybenzamide
CID 79672563
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51464805
N-(1-cyclopropylethyl)-3-methyl-4-(methylamino)benzamide
CID 63210093
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide (CID 104627471) is N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide is CC(NC(=O)c1ccc(I)c(O)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is KRWXXGBSVXHSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-7(8-2-3-8)14-12(16)9-4-5-10(13)11(15)6-9/h4-8,15H,2-3H2,1H3,(H,14,16).
What are the key properties of N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide?
N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 331.15 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).