N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide

C13H18INO2 — CID 97227819

IUPACN-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide
SMILESCCC[C@H](O)CNC(=O)Cc1cccc(I)c1
InChIInChI=1S/C13H18INO2/c1-2-4-12(16)9-15-13(17)8-10-5-3-6-11(14)7-10/h3,5-7,12,16H,2,4,8-9H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyVVWYOKZATSMBOP-LBPRGKRZSA-N
MW347.20 g/mol
LogP2.11
Rot. Bonds6

About N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide

N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide (PubChem CID 97227819) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide
PubChem CID97227819
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide
SMILESCCC[C@H](O)CNC(=O)Cc1cccc(I)c1
InChIInChI=1S/C13H18INO2/c1-2-4-12(16)9-15-13(17)8-10-5-3-6-11(14)7-10/h3,5-7,12,16H,2,4,8-9H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyVVWYOKZATSMBOP-LBPRGKRZSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide
CID 120830379
N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
CID 120652816
2-(3-iodophenyl)-N-methylacetamide
CID 130614224
N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
CID 120505769
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
propyl 2-(3-iodophenyl)acetate
CID 139697967
2-[[[2-(3-acetamidophenyl)acetyl]amino]methyl]pentanoic acid
CID 126814810
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338040
2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
CID 113268457
N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide?
The IUPAC name of N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide (CID 97227819) is N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide?
The canonical SMILES for N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide is CCC[C@H](O)CNC(=O)Cc1cccc(I)c1.
What is the InChIKey of N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide?
The InChIKey is VVWYOKZATSMBOP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18INO2/c1-2-4-12(16)9-15-13(17)8-10-5-3-6-11(14)7-10/h3,5-7,12,16H,2,4,8-9H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide?
N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide has a molecular weight of 347.20 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide is sourced from PubChem (CID 97227819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).