2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C21H25FN2O2 — CID 113162240

IUPAC2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-14(2)18-10-7-8-15(3)21(18)23-20(26)13-24(16(4)25)12-17-9-5-6-11-19(17)22/h5-11,14H,12-13H2,1-4H3,(H,23,26)
InChIKeyUDWKNBNTFBMWHO-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.24
Rot. Bonds6

About 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 113162240) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID113162240
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-14(2)18-10-7-8-15(3)21(18)23-20(26)13-24(16(4)25)12-17-9-5-6-11-19(17)22/h5-11,14H,12-13H2,1-4H3,(H,23,26)
InChIKeyUDWKNBNTFBMWHO-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113162235
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113120993
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8977816
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162238
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113181475
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113162237
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113163658
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113169502
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113164231
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113162602
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165479

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 113162240) is 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccccc1F.
What is the InChIKey of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is UDWKNBNTFBMWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-14(2)18-10-7-8-15(3)21(18)23-20(26)13-24(16(4)25)12-17-9-5-6-11-19(17)22/h5-11,14H,12-13H2,1-4H3,(H,23,26).
What are the key properties of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 356.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113162240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).