2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide

C18H20FN3O2 — CID 109000569

IUPAC2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-13(23)22-17-8-6-16(7-9-17)21-12-18(24)20-11-10-14-2-4-15(19)5-3-14/h2-9,21H,10-12H2,1H3,(H,20,24)(H,22,23)
InChIKeyMOAXHHLHYRRWKD-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.55
Rot. Bonds7

About 2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 109000569) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID109000569
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-13(23)22-17-8-6-16(7-9-17)21-12-18(24)20-11-10-14-2-4-15(19)5-3-14/h2-9,21H,10-12H2,1H3,(H,20,24)(H,22,23)
InChIKeyMOAXHHLHYRRWKD-UHFFFAOYSA-N
XLogP2.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
N-propyl-2-(4-propylanilino)acetamide
CID 43216175
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60537701
2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 109000569) is 2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)Nc1ccc(NCC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is MOAXHHLHYRRWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13(23)22-17-8-6-16(7-9-17)21-12-18(24)20-11-10-14-2-4-15(19)5-3-14/h2-9,21H,10-12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 109000569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).