N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide

C17H26INO2 — CID 61400671

IUPACN-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
SMILESCCCCCCCN(CCCO)C(=O)c1ccccc1I
InChIInChI=1S/C17H26INO2/c1-2-3-4-5-8-12-19(13-9-14-20)17(21)15-10-6-7-11-16(15)18/h6-7,10-11,20H,2-5,8-9,12-14H2,1H3
InChIKeyRAJHWADEHZHWHP-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.09
Rot. Bonds10

About N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide

N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide (PubChem CID 61400671) has the molecular formula C17H26INO2 and a molecular weight of 403.30 g/mol. Its IUPAC name is N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
PubChem CID61400671
Molecular FormulaC17H26INO2
Molecular Weight403.30 g/mol
Exact Mass403.10
IUPAC NameN-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
SMILESCCCCCCCN(CCCO)C(=O)c1ccccc1I
InChIInChI=1S/C17H26INO2/c1-2-3-4-5-8-12-19(13-9-14-20)17(21)15-10-6-7-11-16(15)18/h6-7,10-11,20H,2-5,8-9,12-14H2,1H3
InChIKeyRAJHWADEHZHWHP-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
N-benzyl-N-butyl-2-iodobenzamide
CID 141495475
2-methyl-N,N-dipentylbenzamide
CID 4576290
2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
CID 103853368
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
decyl 2-(diheptylcarbamoyl)benzoate
CID 6424176
2-bromo-N-dodecyl-N-ethylbenzamide
CID 91728318
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide?
The IUPAC name of N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide (CID 61400671) is N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide.
What is the SMILES notation for N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide?
The canonical SMILES for N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide is CCCCCCCN(CCCO)C(=O)c1ccccc1I.
What is the InChIKey of N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide?
The InChIKey is RAJHWADEHZHWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26INO2/c1-2-3-4-5-8-12-19(13-9-14-20)17(21)15-10-6-7-11-16(15)18/h6-7,10-11,20H,2-5,8-9,12-14H2,1H3.
What are the key properties of N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide?
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide has a molecular weight of 403.30 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide is sourced from PubChem (CID 61400671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).