4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide

C20H23FN2O2 — CID 129358274

IUPAC4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide
SMILESCC(=O)c1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c(F)c1
InChIInChI=1S/C20H23FN2O2/c1-13(19(23(3)4)15-8-6-5-7-9-15)22-20(25)17-11-10-16(14(2)24)12-18(17)21/h5-13,19H,1-4H3,(H,22,25)/t13-,19+/m0/s1
InChIKeyFVONJMLCFAIMBO-ORAYPTAESA-N
MW342.41 g/mol
LogP3.45
Rot. Bonds6

About 4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide

4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide (PubChem CID 129358274) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide
PubChem CID129358274
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide
SMILESCC(=O)c1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c(F)c1
InChIInChI=1S/C20H23FN2O2/c1-13(19(23(3)4)15-8-6-5-7-9-15)22-20(25)17-11-10-16(14(2)24)12-18(17)21/h5-13,19H,1-4H3,(H,22,25)/t13-,19+/m0/s1
InChIKeyFVONJMLCFAIMBO-ORAYPTAESA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
CID 51696070
N-[5-[[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
CID 99785703
N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
CID 99785702
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide
CID 124619228
N-(1,1-diphenylpropan-2-yl)-2-fluorobenzamide
CID 46432015
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide
CID 99839436
4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide
CID 129480454
4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 97340412
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide
CID 99785478
(3S)-3-[[4-(dimethylamino)-2-fluorobenzoyl]amino]-3-phenylpropanoic acid
CID 167763402

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide?
The IUPAC name of 4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide (CID 129358274) is 4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for 4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide?
The canonical SMILES for 4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide is CC(=O)c1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c(F)c1.
What is the InChIKey of 4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide?
The InChIKey is FVONJMLCFAIMBO-ORAYPTAESA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13(19(23(3)4)15-8-6-5-7-9-15)22-20(25)17-11-10-16(14(2)24)12-18(17)21/h5-13,19H,1-4H3,(H,22,25)/t13-,19+/m0/s1.
What are the key properties of 4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide?
4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide has a molecular weight of 342.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 129358274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).