3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide

C12H14INO3 — CID 113434894

IUPAC3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
SMILESO=C(NCC1(CO)CC1)c1ccc(I)c(O)c1
InChIInChI=1S/C12H14INO3/c13-9-2-1-8(5-10(9)16)11(17)14-6-12(7-15)3-4-12/h1-2,5,15-16H,3-4,6-7H2,(H,14,17)
InChIKeyDSGFHCYKWZPGSB-UHFFFAOYSA-N
MW347.15 g/mol
LogP1.50
Rot. Bonds4

About 3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide

3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide (PubChem CID 113434894) has the molecular formula C12H14INO3 and a molecular weight of 347.15 g/mol. Its IUPAC name is 3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
PubChem CID113434894
Molecular FormulaC12H14INO3
Molecular Weight347.15 g/mol
Exact Mass347.00
IUPAC Name3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
SMILESO=C(NCC1(CO)CC1)c1ccc(I)c(O)c1
InChIInChI=1S/C12H14INO3/c13-9-2-1-8(5-10(9)16)11(17)14-6-12(7-15)3-4-12/h1-2,5,15-16H,3-4,6-7H2,(H,14,17)
InChIKeyDSGFHCYKWZPGSB-UHFFFAOYSA-N
XLogP1.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
CID 104627729
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937
N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 80716840
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
CID 107732018
4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80708473
6-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 167752625
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(methanesulfonamido)benzamide
CID 80717767
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide?
The IUPAC name of 3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide (CID 113434894) is 3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide.
What is the SMILES notation for 3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide?
The canonical SMILES for 3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide is O=C(NCC1(CO)CC1)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide?
The InChIKey is DSGFHCYKWZPGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO3/c13-9-2-1-8(5-10(9)16)11(17)14-6-12(7-15)3-4-12/h1-2,5,15-16H,3-4,6-7H2,(H,14,17).
What are the key properties of 3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide?
3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide has a molecular weight of 347.15 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide is sourced from PubChem (CID 113434894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).