benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium

C23H24FN2O+ — CID 9445898

IUPACbenzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H23FN2O/c1-17(23(27)25-16-18-12-14-21(24)15-13-18)26-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,22,26H,16H2,1H3,(H,25,27)/p+1/t17-/m0/s1
InChIKeyOVCGBRCDIHLZPI-KRWDZBQOSA-O
MW363.46 g/mol
LogP3.18
Rot. Bonds7

About benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium

benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium (PubChem CID 9445898) has the molecular formula C23H24FN2O+ and a molecular weight of 363.46 g/mol. Its IUPAC name is benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Namebenzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium
PubChem CID9445898
Molecular FormulaC23H24FN2O+
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Namebenzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H23FN2O/c1-17(23(27)25-16-18-12-14-21(24)15-13-18)26-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,22,26H,16H2,1H3,(H,25,27)/p+1/t17-/m0/s1
InChIKeyOVCGBRCDIHLZPI-KRWDZBQOSA-O
XLogP3.18
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8774591
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
2-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 56538273
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640864
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 8003176
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 132903387

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium?
The IUPAC name of benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium (CID 9445898) is benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium is C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium?
The InChIKey is OVCGBRCDIHLZPI-KRWDZBQOSA-O. The full InChI is InChI=1S/C23H23FN2O/c1-17(23(27)25-16-18-12-14-21(24)15-13-18)26-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,22,26H,16H2,1H3,(H,25,27)/p+1/t17-/m0/s1.
What are the key properties of benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium?
benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium has a molecular weight of 363.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9445898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).