3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide

C14H19IN2O3 — CID 104627716

IUPAC3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H19IN2O3/c1-10(9-17-4-6-20-7-5-17)16-14(19)11-2-3-12(15)13(18)8-11/h2-3,8,10,18H,4-7,9H2,1H3,(H,16,19)
InChIKeyPUGDPNJWLNYDKN-UHFFFAOYSA-N
MW390.22 g/mol
LogP1.45
Rot. Bonds4

About 3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide

3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 104627716) has the molecular formula C14H19IN2O3 and a molecular weight of 390.22 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID104627716
Molecular FormulaC14H19IN2O3
Molecular Weight390.22 g/mol
Exact Mass390.04
IUPAC Name3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H19IN2O3/c1-10(9-17-4-6-20-7-5-17)16-14(19)11-2-3-12(15)13(18)8-11/h2-3,8,10,18H,4-7,9H2,1H3,(H,16,19)
InChIKeyPUGDPNJWLNYDKN-UHFFFAOYSA-N
XLogP1.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate
CID 122565746
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
CID 104627718
4-(2-cyclopropyl-2-oxoethoxy)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 95763360
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 94129990
3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
CID 104628600
1-(2-methoxyethyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-oxopyridine-3-carboxamide
CID 55883209
2-(2-hydroxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 78990786
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 104627716) is 3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide is CC(CN1CCOCC1)NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is PUGDPNJWLNYDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O3/c1-10(9-17-4-6-20-7-5-17)16-14(19)11-2-3-12(15)13(18)8-11/h2-3,8,10,18H,4-7,9H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 390.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 104627716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).