2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate

C15H11INO4- — CID 7324626

IUPAC2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate
SMILESO=C([O-])COc1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C15H12INO4/c16-13-4-2-1-3-12(13)15(20)17-10-5-7-11(8-6-10)21-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)/p-1
InChIKeyCMQRTNYNINKHOB-UHFFFAOYSA-M
MW396.16 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate

2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate (PubChem CID 7324626) has the molecular formula C15H11INO4- and a molecular weight of 396.16 g/mol. Its IUPAC name is 2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate
PubChem CID7324626
Molecular FormulaC15H11INO4-
Molecular Weight396.16 g/mol
Exact Mass395.97
IUPAC Name2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate
SMILESO=C([O-])COc1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C15H12INO4/c16-13-4-2-1-3-12(13)15(20)17-10-5-7-11(8-6-10)21-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)/p-1
InChIKeyCMQRTNYNINKHOB-UHFFFAOYSA-M
XLogP1.67
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
2-iodo-N-(4-propoxyphenyl)benzamide
CID 4942969
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
N-[4-(difluoromethoxy)phenyl]-2-iodobenzamide
CID 7941252
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate
CID 6952976
N-(4-benzoylphenyl)-2-iodobenzamide
CID 1010139
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
2-[4-(3-phenylpropanoylamino)phenoxy]acetate
CID 2231593
2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 2204226

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate?
The IUPAC name of 2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate (CID 7324626) is 2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate?
The canonical SMILES for 2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate is O=C([O-])COc1ccc(NC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate?
The InChIKey is CMQRTNYNINKHOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12INO4/c16-13-4-2-1-3-12(13)15(20)17-10-5-7-11(8-6-10)21-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)/p-1.
What are the key properties of 2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate?
2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate has a molecular weight of 396.16 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate is sourced from PubChem (CID 7324626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).