N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide

C18H16IN5O2 — CID 55500726

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C18H16IN5O2/c19-13-4-8-16(9-5-13)26-11-17(25)20-14-3-1-2-12(10-14)18-21-22-23-24(18)15-6-7-15/h1-5,8-10,15H,6-7,11H2,(H,20,25)
InChIKeyFRZNNADWUKHQCW-UHFFFAOYSA-N
MW461.26 g/mol
LogP3.30
Rot. Bonds6

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide (PubChem CID 55500726) has the molecular formula C18H16IN5O2 and a molecular weight of 461.26 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide
PubChem CID55500726
Molecular FormulaC18H16IN5O2
Molecular Weight461.26 g/mol
Exact Mass461.03
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C18H16IN5O2/c19-13-4-8-16(9-5-13)26-11-17(25)20-14-3-1-2-12(10-14)18-21-22-23-24(18)15-6-7-15/h1-5,8-10,15H,6-7,11H2,(H,20,25)
InChIKeyFRZNNADWUKHQCW-UHFFFAOYSA-N
XLogP3.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 24590707
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluorophenoxy)propanamide
CID 39675295
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 41293386
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949263
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
CID 24590710

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide (CID 55500726) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide is O=C(COc1ccc(I)cc1)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide?
The InChIKey is FRZNNADWUKHQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN5O2/c19-13-4-8-16(9-5-13)26-11-17(25)20-14-3-1-2-12(10-14)18-21-22-23-24(18)15-6-7-15/h1-5,8-10,15H,6-7,11H2,(H,20,25).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide has a molecular weight of 461.26 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 55500726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).