2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid

C17H16INO5 — CID 17342102

IUPAC2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)COc1ccc(I)cc1
InChIInChI=1S/C17H16INO5/c1-11-8-14(24-10-17(21)22)6-7-15(11)19-16(20)9-23-13-4-2-12(18)3-5-13/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyCUDVSAMMSNOCBX-UHFFFAOYSA-N
MW441.22 g/mol
LogP3.08
Rot. Bonds7

About 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid

2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid (PubChem CID 17342102) has the molecular formula C17H16INO5 and a molecular weight of 441.22 g/mol. Its IUPAC name is 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
PubChem CID17342102
Molecular FormulaC17H16INO5
Molecular Weight441.22 g/mol
Exact Mass441.01
IUPAC Name2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)COc1ccc(I)cc1
InChIInChI=1S/C17H16INO5/c1-11-8-14(24-10-17(21)22)6-7-15(11)19-16(20)9-23-13-4-2-12(18)3-5-13/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyCUDVSAMMSNOCBX-UHFFFAOYSA-N
XLogP3.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.22
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-(4-iodophenoxy)acetamide
CID 43144731
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231516
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231680
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid
CID 60708310
2-[3-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]phenoxy]acetic acid
CID 119231879
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231848
2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 3360136

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid (CID 17342102) is 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid is Cc1cc(OCC(=O)O)ccc1NC(=O)COc1ccc(I)cc1.
What is the InChIKey of 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The InChIKey is CUDVSAMMSNOCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO5/c1-11-8-14(24-10-17(21)22)6-7-15(11)19-16(20)9-23-13-4-2-12(18)3-5-13/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid has a molecular weight of 441.22 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 17342102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).