2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide

C17H15F2IN2O3 — CID 55502598

IUPAC2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide
SMILESCNC(=O)C(NC(=O)COc1ccc(I)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2IN2O3/c1-21-17(24)16(10-2-7-13(18)14(19)8-10)22-15(23)9-25-12-5-3-11(20)4-6-12/h2-8,16H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyCTPAXYDACAOIJQ-UHFFFAOYSA-N
MW460.22 g/mol
LogP2.55
Rot. Bonds6

About 2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide

2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide (PubChem CID 55502598) has the molecular formula C17H15F2IN2O3 and a molecular weight of 460.22 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide
PubChem CID55502598
Molecular FormulaC17H15F2IN2O3
Molecular Weight460.22 g/mol
Exact Mass460.01
IUPAC Name2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide
SMILESCNC(=O)C(NC(=O)COc1ccc(I)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2IN2O3/c1-21-17(24)16(10-2-7-13(18)14(19)8-10)22-15(23)9-25-12-5-3-11(20)4-6-12/h2-8,16H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyCTPAXYDACAOIJQ-UHFFFAOYSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55790872
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]acetamide
CID 55483919
4-butoxy-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55483855
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134051690
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55629313
2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide
CID 78834446
2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide
CID 86916060
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide
CID 134051655
3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide
CID 134051734
4-(4-chloro-2-methylphenoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55502602
4-(2-bromophenoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55790503
2-(3,4-difluorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 24608166

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide (CID 55502598) is 2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide is CNC(=O)C(NC(=O)COc1ccc(I)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide?
The InChIKey is CTPAXYDACAOIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2IN2O3/c1-21-17(24)16(10-2-7-13(18)14(19)8-10)22-15(23)9-25-12-5-3-11(20)4-6-12/h2-8,16H,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide?
2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide has a molecular weight of 460.22 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide is sourced from PubChem (CID 55502598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).