5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide

C12H15BrINO2 — CID 43573631

IUPAC5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C12H15BrINO2/c1-8(2)15(5-6-16)12(17)10-7-9(13)3-4-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyJILGNTGYIGQABB-UHFFFAOYSA-N
MW412.07 g/mol
LogP2.90
Rot. Bonds4

About 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide

5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide (PubChem CID 43573631) has the molecular formula C12H15BrINO2 and a molecular weight of 412.07 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide
PubChem CID43573631
Molecular FormulaC12H15BrINO2
Molecular Weight412.07 g/mol
Exact Mass410.93
IUPAC Name5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C12H15BrINO2/c1-8(2)15(5-6-16)12(17)10-7-9(13)3-4-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyJILGNTGYIGQABB-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.07
LogP ≤ 52.90
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

5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide
CID 113224070
4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 107332877
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 107483375
5-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661582
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
3-amino-5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 114896524
4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 115369231
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107722686
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide (CID 43573631) is 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide is CC(C)N(CCO)C(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide?
The InChIKey is JILGNTGYIGQABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrINO2/c1-8(2)15(5-6-16)12(17)10-7-9(13)3-4-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide?
5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide has a molecular weight of 412.07 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide is sourced from PubChem (CID 43573631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).