2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide

C21H25FN2O2 — CID 113164231

IUPAC2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(CCc1ccccc1F)C(C)=O
InChIInChI=1S/C21H25FN2O2/c1-4-17-10-7-8-15(2)21(17)23-20(26)14-24(16(3)25)13-12-18-9-5-6-11-19(18)22/h5-11H,4,12-14H2,1-3H3,(H,23,26)
InChIKeyNHSKNVQWZWUVAO-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.73
Rot. Bonds7

About 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 113164231) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID113164231
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(CCc1ccccc1F)C(C)=O
InChIInChI=1S/C21H25FN2O2/c1-4-17-10-7-8-15(2)21(17)23-20(26)14-24(16(3)25)13-12-18-9-5-6-11-19(18)22/h5-11H,4,12-14H2,1-3H3,(H,23,26)
InChIKeyNHSKNVQWZWUVAO-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113162235
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113164244
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113120993
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid
CID 15945235
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 113164256
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113164396
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113162240
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 113164141
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 113164231) is 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(CCc1ccccc1F)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is NHSKNVQWZWUVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-4-17-10-7-8-15(2)21(17)23-20(26)14-24(16(3)25)13-12-18-9-5-6-11-19(18)22/h5-11H,4,12-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 356.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 113164231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).