2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide

C19H21FN2O2 — CID 113169236

IUPAC2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C19H21FN2O2/c1-3-15-8-10-17(11-9-15)22(14(2)23)13-19(24)21-12-16-6-4-5-7-18(16)20/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyIFCAHZMRTNTYHK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.06
Rot. Bonds6

About 2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide

2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113169236) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113169236
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C19H21FN2O2/c1-3-15-8-10-17(11-9-15)22(14(2)23)13-19(24)21-12-16-6-4-5-7-18(16)20/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyIFCAHZMRTNTYHK-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113169240
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113131702
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113178572
2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113170589
3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113131097
3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113129401
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113175570

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide (CID 113169236) is 2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide is CCc1ccc(N(CC(=O)NCc2ccccc2F)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is IFCAHZMRTNTYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-3-15-8-10-17(11-9-15)22(14(2)23)13-19(24)21-12-16-6-4-5-7-18(16)20/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 328.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113169236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).