N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide

C19H23FN2O — CID 9133243

IUPACN-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)[C@@H](NCC(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-14(2)19(16-8-10-17(20)11-9-16)22-13-18(23)21-12-15-6-4-3-5-7-15/h3-11,14,19,22H,12-13H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyVDPGCWRGODMMSS-LJQANCHMSA-N
MW314.40 g/mol
LogP3.43
Rot. Bonds7

About N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide

N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (PubChem CID 9133243) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
PubChem CID9133243
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)[C@@H](NCC(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-14(2)19(16-8-10-17(20)11-9-16)22-13-18(23)21-12-15-6-4-3-5-7-15/h3-11,14,19,22H,12-13H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyVDPGCWRGODMMSS-LJQANCHMSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9133571
N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 51565539
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
N-[(4-methoxyphenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131857
N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134154
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134121
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
CID 18137513
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (CID 9133243) is N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is CC(C)[C@@H](NCC(=O)NCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is VDPGCWRGODMMSS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14(2)19(16-8-10-17(20)11-9-16)22-13-18(23)21-12-15-6-4-3-5-7-15/h3-11,14,19,22H,12-13H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 314.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 9133243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).