3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide

C22H27FN2O2 — CID 113119165

IUPAC3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)(C)C)Cc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c1-16(26)25(15-17-9-5-7-11-19(17)23)14-13-21(27)24-20-12-8-6-10-18(20)22(2,3)4/h5-12H,13-15H2,1-4H3,(H,24,27)
InChIKeyUAVCHDXVZQAJSL-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.50
Rot. Bonds6

About 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide (PubChem CID 113119165) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
PubChem CID113119165
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)(C)C)Cc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c1-16(26)25(15-17-9-5-7-11-19(17)23)14-13-21(27)24-20-12-8-6-10-18(20)22(2,3)4/h5-12H,13-15H2,1-4H3,(H,24,27)
InChIKeyUAVCHDXVZQAJSL-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
CID 113119208
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113119222
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119498
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113117902
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196
3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide
CID 113133488
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide (CID 113119165) is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C(C)(C)C)Cc1ccccc1F.
What is the InChIKey of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide?
The InChIKey is UAVCHDXVZQAJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16(26)25(15-17-9-5-7-11-19(17)23)14-13-21(27)24-20-12-8-6-10-18(20)22(2,3)4/h5-12H,13-15H2,1-4H3,(H,24,27).
What are the key properties of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide?
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide has a molecular weight of 370.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide is sourced from PubChem (CID 113119165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).