2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide

C16H17FN2O2 — CID 28569623

IUPAC2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O2/c1-2-21-15-8-6-13(7-9-15)18-11-16(20)19-14-5-3-4-12(17)10-14/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyKURIBULKFVGXRL-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.28
Rot. Bonds6

About 2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide

2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide (PubChem CID 28569623) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
PubChem CID28569623
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O2/c1-2-21-15-8-6-13(7-9-15)18-11-16(20)19-14-5-3-4-12(17)10-14/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyKURIBULKFVGXRL-UHFFFAOYSA-N
XLogP3.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
CID 9098933
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54811072
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide (CID 28569623) is 2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide is CCOc1ccc(NCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide?
The InChIKey is KURIBULKFVGXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-21-15-8-6-13(7-9-15)18-11-16(20)19-14-5-3-4-12(17)10-14/h3-10,18H,2,11H2,1H3,(H,19,20).
What are the key properties of 2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide?
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide has a molecular weight of 288.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 28569623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).