N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide

C12H16INO2 — CID 104627791

IUPACN-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(I)c(O)c1)C(C)C
InChIInChI=1S/C12H16INO2/c1-4-14(8(2)3)12(16)9-5-6-10(13)11(15)7-9/h5-8,15H,4H2,1-3H3
InChIKeyGNNFNTWHHJOOBN-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.87
Rot. Bonds3

About N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide

N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide (PubChem CID 104627791) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
PubChem CID104627791
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC NameN-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(I)c(O)c1)C(C)C
InChIInChI=1S/C12H16INO2/c1-4-14(8(2)3)12(16)9-5-6-10(13)11(15)7-9/h5-8,15H,4H2,1-3H3
InChIKeyGNNFNTWHHJOOBN-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.87
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

3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 113434719
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
CID 104627675
3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
CID 79466412
N-ethyl-3-hydroxy-4-iodo-N-prop-2-ynylbenzamide
CID 104627858
3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294
2-[(4-bromo-3-hydroxybenzoyl)-propan-2-ylamino]acetic acid
CID 114103223
N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107689061
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
N-ethyl-2-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide
CID 103764335

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide (CID 104627791) is N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide is CCN(C(=O)c1ccc(I)c(O)c1)C(C)C.
What is the InChIKey of N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide?
The InChIKey is GNNFNTWHHJOOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-4-14(8(2)3)12(16)9-5-6-10(13)11(15)7-9/h5-8,15H,4H2,1-3H3.
What are the key properties of N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide?
N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide has a molecular weight of 333.17 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide is sourced from PubChem (CID 104627791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).