4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide

C12H17IN2O2 — CID 112750807

IUPAC4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(N)c(I)c1
InChIInChI=1S/C12H17IN2O2/c1-8(2)15(5-6-16)12(17)9-3-4-11(14)10(13)7-9/h3-4,7-8,16H,5-6,14H2,1-2H3
InChIKeyGIDVPIKCTOTJFL-UHFFFAOYSA-N
MW348.18 g/mol
LogP1.72
Rot. Bonds4

About 4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide

4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide (PubChem CID 112750807) has the molecular formula C12H17IN2O2 and a molecular weight of 348.18 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide
PubChem CID112750807
Molecular FormulaC12H17IN2O2
Molecular Weight348.18 g/mol
Exact Mass348.03
IUPAC Name4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(N)c(I)c1
InChIInChI=1S/C12H17IN2O2/c1-8(2)15(5-6-16)12(17)9-3-4-11(14)10(13)7-9/h3-4,7-8,16H,5-6,14H2,1-2H3
InChIKeyGIDVPIKCTOTJFL-UHFFFAOYSA-N
XLogP1.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-hydroxyethyl)-3-iodo-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

4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744371
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
N-(2-hydroxyethyl)-4-nitro-N-propan-2-ylbenzamide
CID 43573013
3-[(3-iodo-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 119207059
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527
N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 43573520
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
4-amino-N-(2-cyanopropyl)-3-iodo-N-methylbenzamide
CID 112750818

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide (CID 112750807) is 4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide is CC(C)N(CCO)C(=O)c1ccc(N)c(I)c1.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide?
The InChIKey is GIDVPIKCTOTJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O2/c1-8(2)15(5-6-16)12(17)9-3-4-11(14)10(13)7-9/h3-4,7-8,16H,5-6,14H2,1-2H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide?
4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide has a molecular weight of 348.18 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide is sourced from PubChem (CID 112750807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).