N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide

C17H17FN2O2 — CID 49335487

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O2/c1-12-5-7-13(8-6-12)9-16(21)19-11-17(22)20-15-4-2-3-14(18)10-15/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLPOGUXPLJLMYFX-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide (PubChem CID 49335487) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
PubChem CID49335487
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O2/c1-12-5-7-13(8-6-12)9-16(21)19-11-17(22)20-15-4-2-3-14(18)10-15/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLPOGUXPLJLMYFX-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]acetamide
CID 111245387
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
CID 772260
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113002290
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide (CID 49335487) is N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is LPOGUXPLJLMYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-5-7-13(8-6-12)9-16(21)19-11-17(22)20-15-4-2-3-14(18)10-15/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 300.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 49335487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).