2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C21H26FN3O2 — CID 8785624

IUPAC2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H26FN3O2/c1-4-25(13-17-6-5-7-18(22)12-17)21(27)15-24(3)14-20(26)23-19-10-8-16(2)9-11-19/h5-12H,4,13-15H2,1-3H3,(H,23,26)
InChIKeyFIXJLMPKIWGVPZ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.05
Rot. Bonds8

About 2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8785624) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8785624
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H26FN3O2/c1-4-25(13-17-6-5-7-18(22)12-17)21(27)15-24(3)14-20(26)23-19-10-8-16(2)9-11-19/h5-12H,4,13-15H2,1-3H3,(H,23,26)
InChIKeyFIXJLMPKIWGVPZ-UHFFFAOYSA-N
XLogP3.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 8692739
2-(N-ethyl-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60517438
2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785766
3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 86979182
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 8785624) is 2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is CCN(Cc1cccc(F)c1)C(=O)CN(C)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is FIXJLMPKIWGVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-4-25(13-17-6-5-7-18(22)12-17)21(27)15-24(3)14-20(26)23-19-10-8-16(2)9-11-19/h5-12H,4,13-15H2,1-3H3,(H,23,26).
What are the key properties of 2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8785624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).