2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C20H24FN3O2 — CID 113164185

IUPAC2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1F)CC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C20H24FN3O2/c1-16(25)24(14-10-18-5-3-4-6-19(18)21)15-20(26)23(2)13-9-17-7-11-22-12-8-17/h3-8,11-12H,9-10,13-15H2,1-2H3
InChIKeyMZGVLEWIHJOESH-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.31
Rot. Bonds8

About 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 113164185) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID113164185
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1F)CC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C20H24FN3O2/c1-16(25)24(14-10-18-5-3-4-6-19(18)21)15-20(26)23(2)13-9-17-7-11-22-12-8-17/h3-8,11-12H,9-10,13-15H2,1-2H3
InChIKeyMZGVLEWIHJOESH-UHFFFAOYSA-N
XLogP2.31
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113119113
3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 110724799
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113160629
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113117493
2-[(2-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257019
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214020
6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109121915
N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110436877

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 113164185) is 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CC(=O)N(CCc1ccccc1F)CC(=O)N(C)CCc1ccncc1.
What is the InChIKey of 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is MZGVLEWIHJOESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-16(25)24(14-10-18-5-3-4-6-19(18)21)15-20(26)23(2)13-9-17-7-11-22-12-8-17/h3-8,11-12H,9-10,13-15H2,1-2H3.
What are the key properties of 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 357.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 113164185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).