N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide

C13H18INO2 — CID 99832158

IUPACN-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide
SMILESCC[C@H](CCO)NC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C13H18INO2/c1-2-12(7-8-16)15-13(17)9-10-3-5-11(14)6-4-10/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyYCCAQXDSYPJRCJ-GFCCVEGCSA-N
MW347.20 g/mol
LogP2.11
Rot. Bonds6

About N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide

N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide (PubChem CID 99832158) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide
PubChem CID99832158
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide
SMILESCC[C@H](CCO)NC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C13H18INO2/c1-2-12(7-8-16)15-13(17)9-10-3-5-11(14)6-4-10/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyYCCAQXDSYPJRCJ-GFCCVEGCSA-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-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
CID 115767168
N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide
CID 100622638
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183
2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenyl]acetic acid
CID 103267723
2-(5-amino-2-pyridinyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 107339685
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313
N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide
CID 65193879
N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 114307759
N-[(2R)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 103961002
2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 103944313

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide?
The IUPAC name of N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide (CID 99832158) is N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide.
What is the SMILES notation for N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide?
The canonical SMILES for N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide is CC[C@H](CCO)NC(=O)Cc1ccc(I)cc1.
What is the InChIKey of N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide?
The InChIKey is YCCAQXDSYPJRCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18INO2/c1-2-12(7-8-16)15-13(17)9-10-3-5-11(14)6-4-10/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide?
N-[(3R)-1-hydroxypentan-3-yl]-2-(4-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-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide is sourced from PubChem (CID 99832158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).