N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide

C17H16F2N2O3 — CID 75374358

IUPACN-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide
SMILESCc1cc(OCC(N)=O)ccc1NC(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C17H16F2N2O3/c1-10-6-13(24-9-16(20)22)3-5-15(10)21-17(23)8-11-7-12(18)2-4-14(11)19/h2-7H,8-9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyTXVJSTOXDGUEIS-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.32
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide

N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide (PubChem CID 75374358) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide
PubChem CID75374358
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide
SMILESCc1cc(OCC(N)=O)ccc1NC(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C17H16F2N2O3/c1-10-6-13(24-9-16(20)22)3-5-15(10)21-17(23)8-11-7-12(18)2-4-14(11)19/h2-7H,8-9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyTXVJSTOXDGUEIS-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-fluoro-2-methylphenyl)acetamide
CID 9428504
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231676
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide
CID 86886668
N-(2-amino-4-fluorophenyl)-2-(3-fluorophenoxy)acetamide
CID 16796146
N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide
CID 65203389
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855
N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide (CID 75374358) is N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide is Cc1cc(OCC(N)=O)ccc1NC(=O)Cc1cc(F)ccc1F.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide?
The InChIKey is TXVJSTOXDGUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-10-6-13(24-9-16(20)22)3-5-15(10)21-17(23)8-11-7-12(18)2-4-14(11)19/h2-7H,8-9H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide?
N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide has a molecular weight of 334.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 75374358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).