methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate

C17H16INO5 — CID 55771551

IUPACmethyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2ccc(I)cc2)cc1OC
InChIInChI=1S/C17H16INO5/c1-22-15-9-11(3-8-14(15)24-10-16(20)23-2)17(21)19-13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyFSQFUONQXUPAOD-UHFFFAOYSA-N
MW441.22 g/mol
LogP3.10
Rot. Bonds6

About methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 55771551) has the molecular formula C17H16INO5 and a molecular weight of 441.22 g/mol. Its IUPAC name is methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate
PubChem CID55771551
Molecular FormulaC17H16INO5
Molecular Weight441.22 g/mol
Exact Mass441.01
IUPAC Namemethyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2ccc(I)cc2)cc1OC
InChIInChI=1S/C17H16INO5/c1-22-15-9-11(3-8-14(15)24-10-16(20)23-2)17(21)19-13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyFSQFUONQXUPAOD-UHFFFAOYSA-N
XLogP3.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
N-[(4-iodophenyl)carbamothioyl]-3,4-dimethoxybenzamide
CID 1181777
methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55771702
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099
methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55772777
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate (CID 55771551) is methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate is COC(=O)COc1ccc(C(=O)Nc2ccc(I)cc2)cc1OC.
What is the InChIKey of methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is FSQFUONQXUPAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO5/c1-22-15-9-11(3-8-14(15)24-10-16(20)23-2)17(21)19-13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 441.22 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 55771551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).