2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide

C21H25FN2O2 — CID 113162207

IUPAC2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-16(2)24(13-18-9-5-4-6-10-18)21(26)15-23(17(3)25)14-19-11-7-8-12-20(19)22/h4-12,16H,13-15H2,1-3H3
InChIKeySXTZZXQLUULIRU-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.61
Rot. Bonds7

About 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide (PubChem CID 113162207) 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-benzyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide
PubChem CID113162207
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-16(2)24(13-18-9-5-4-6-10-18)21(26)15-23(17(3)25)14-19-11-7-8-12-20(19)22/h4-12,16H,13-15H2,1-3H3
InChIKeySXTZZXQLUULIRU-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-ethyl-N-phenylacetamide
CID 113162234
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113178994
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
CID 113126703
3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113114991
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 132651314
(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 100568060

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide (CID 113162207) is 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide is CC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccccc1F.
What is the InChIKey of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide?
The InChIKey is SXTZZXQLUULIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-16(2)24(13-18-9-5-4-6-10-18)21(26)15-23(17(3)25)14-19-11-7-8-12-20(19)22/h4-12,16H,13-15H2,1-3H3.
What are the key properties of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide?
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide has a molecular weight of 356.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide is sourced from PubChem (CID 113162207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).