N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide

C13H18INO2 — CID 61040122

IUPACN-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1ccc(I)cc1
InChIInChI=1S/C13H18INO2/c1-10(2)15(8-3-9-16)13(17)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyXLLGDDVUVXLCFL-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.52
Rot. Bonds5

About N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide

N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide (PubChem CID 61040122) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
PubChem CID61040122
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1ccc(I)cc1
InChIInChI=1S/C13H18INO2/c1-10(2)15(8-3-9-16)13(17)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyXLLGDDVUVXLCFL-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.52
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

4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 61038554
N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide
CID 54916378
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
N-butan-2-yl-N-butyl-4-iodobenzamide
CID 60660036
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54917139
N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
CID 54916380
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-6-carboxamide
CID 55229836
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide (CID 61040122) is N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide is CC(C)N(CCCO)C(=O)c1ccc(I)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide?
The InChIKey is XLLGDDVUVXLCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-10(2)15(8-3-9-16)13(17)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide?
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide has a molecular weight of 347.20 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide is sourced from PubChem (CID 61040122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).