N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide

C17H16FIN2O4 — CID 60518362

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide
SMILESCOc1cc(CNC(=O)c2ccc(F)cc2I)ccc1OCC(N)=O
InChIInChI=1S/C17H16FIN2O4/c1-24-15-6-10(2-5-14(15)25-9-16(20)22)8-21-17(23)12-4-3-11(18)7-13(12)19/h2-7H,8-9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyIBSKLUGKQPABLZ-UHFFFAOYSA-N
MW458.23 g/mol
LogP2.23
Rot. Bonds7

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide (PubChem CID 60518362) has the molecular formula C17H16FIN2O4 and a molecular weight of 458.23 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide
PubChem CID60518362
Molecular FormulaC17H16FIN2O4
Molecular Weight458.23 g/mol
Exact Mass458.01
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide
SMILESCOc1cc(CNC(=O)c2ccc(F)cc2I)ccc1OCC(N)=O
InChIInChI=1S/C17H16FIN2O4/c1-24-15-6-10(2-5-14(15)25-9-16(20)22)8-21-17(23)12-4-3-11(18)7-13(12)19/h2-7H,8-9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyIBSKLUGKQPABLZ-UHFFFAOYSA-N
XLogP2.23
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.23
LogP ≤ 52.23
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

4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155946391
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
CID 56809138
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567119
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide (CID 60518362) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide is COc1cc(CNC(=O)c2ccc(F)cc2I)ccc1OCC(N)=O.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide?
The InChIKey is IBSKLUGKQPABLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FIN2O4/c1-24-15-6-10(2-5-14(15)25-9-16(20)22)8-21-17(23)12-4-3-11(18)7-13(12)19/h2-7H,8-9H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide has a molecular weight of 458.23 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 60518362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).