3-(2-iodophenyl)pentanediamide

C11H13IN2O2 — CID 20546578

IUPAC3-(2-iodophenyl)pentanediamide
SMILESNC(=O)CC(CC(N)=O)c1ccccc1I
InChIInChI=1S/C11H13IN2O2/c12-9-4-2-1-3-8(9)7(5-10(13)15)6-11(14)16/h1-4,7H,5-6H2,(H2,13,15)(H2,14,16)
InChIKeyVCFNRLWJLFUMLI-UHFFFAOYSA-N
MW332.14 g/mol
LogP1.13
Rot. Bonds5

About 3-(2-iodophenyl)pentanediamide

3-(2-iodophenyl)pentanediamide (PubChem CID 20546578) has the molecular formula C11H13IN2O2 and a molecular weight of 332.14 g/mol. Its IUPAC name is 3-(2-iodophenyl)pentanediamide.

Molecular Properties

Compound Name3-(2-iodophenyl)pentanediamide
PubChem CID20546578
Molecular FormulaC11H13IN2O2
Molecular Weight332.14 g/mol
Exact Mass332.00
IUPAC Name3-(2-iodophenyl)pentanediamide
SMILESNC(=O)CC(CC(N)=O)c1ccccc1I
InChIInChI=1S/C11H13IN2O2/c12-9-4-2-1-3-8(9)7(5-10(13)15)6-11(14)16/h1-4,7H,5-6H2,(H2,13,15)(H2,14,16)
InChIKeyVCFNRLWJLFUMLI-UHFFFAOYSA-N
XLogP1.13
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 51.13
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

3-(2-chlorophenyl)pentanediamide
CID 13034531
3-(2-methoxyphenyl)pentanediamide
CID 20546356
(3S)-5-amino-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 97013866
[1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate
CID 56596322
2-(2-iodophenyl)propanedioic acid
CID 172796761
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
methyl (3S)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171243191
2-(2-iodophenyl)hexanamide
CID 141277814
methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171249924
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
(2S)-4-amino-2-[(2-iodophenyl)carbamoylamino]-4-oxobutanoic acid
CID 63714892
(2R)-4-amino-2-[(2-iodophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825787

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenyl)pentanediamide?
The IUPAC name of 3-(2-iodophenyl)pentanediamide (CID 20546578) is 3-(2-iodophenyl)pentanediamide.
What is the SMILES notation for 3-(2-iodophenyl)pentanediamide?
The canonical SMILES for 3-(2-iodophenyl)pentanediamide is NC(=O)CC(CC(N)=O)c1ccccc1I.
What is the InChIKey of 3-(2-iodophenyl)pentanediamide?
The InChIKey is VCFNRLWJLFUMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2/c12-9-4-2-1-3-8(9)7(5-10(13)15)6-11(14)16/h1-4,7H,5-6H2,(H2,13,15)(H2,14,16).
What are the key properties of 3-(2-iodophenyl)pentanediamide?
3-(2-iodophenyl)pentanediamide has a molecular weight of 332.14 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)pentanediamide is sourced from PubChem (CID 20546578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).