3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide

C14H20INO2 — CID 113434719

IUPAC3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide
SMILESCC(C)CN(C(=O)c1ccc(I)c(O)c1)C(C)C
InChIInChI=1S/C14H20INO2/c1-9(2)8-16(10(3)4)14(18)11-5-6-12(15)13(17)7-11/h5-7,9-10,17H,8H2,1-4H3
InChIKeyMPYWKYGSLCNRHJ-UHFFFAOYSA-N
MW361.22 g/mol
LogP3.50
Rot. Bonds4

About 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide

3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide (PubChem CID 113434719) has the molecular formula C14H20INO2 and a molecular weight of 361.22 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide
PubChem CID113434719
Molecular FormulaC14H20INO2
Molecular Weight361.22 g/mol
Exact Mass361.05
IUPAC Name3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide
SMILESCC(C)CN(C(=O)c1ccc(I)c(O)c1)C(C)C
InChIInChI=1S/C14H20INO2/c1-9(2)8-16(10(3)4)14(18)11-5-6-12(15)13(17)7-11/h5-7,9-10,17H,8H2,1-4H3
InChIKeyMPYWKYGSLCNRHJ-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
CID 104627791
3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55000398
N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
CID 104627610
N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide
CID 23588517
3-hydroxy-4-iodo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 104629307
2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 103755064
2-[(4-bromo-3-hydroxybenzoyl)-propan-2-ylamino]acetic acid
CID 114103223
3,4-dihydroxy-N-methyl-N-(2-methylpropyl)benzamide
CID 103956449
3-chloro-N-(2-methylpropyl)-4-nitro-N-propan-2-ylbenzamide
CID 82780952
3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide
CID 104632622
3-[(3-iodo-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 119207059
3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide
CID 104956229

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide (CID 113434719) is 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide is CC(C)CN(C(=O)c1ccc(I)c(O)c1)C(C)C.
What is the InChIKey of 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The InChIKey is MPYWKYGSLCNRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO2/c1-9(2)8-16(10(3)4)14(18)11-5-6-12(15)13(17)7-11/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide has a molecular weight of 361.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 113434719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).