benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium

C22H22FN2O+ — CID 2551581

IUPACbenzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
SMILESC[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H21FN2O/c1-16(22(26)25-20-15-9-8-14-19(20)23)24-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21,24H,1H3,(H,25,26)/p+1/t16-/m1/s1
InChIKeyRAXKHNASNHXVTP-MRXNPFEDSA-O
MW349.43 g/mol
LogP3.51
Rot. Bonds6

About benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium

benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium (PubChem CID 2551581) has the molecular formula C22H22FN2O+ and a molecular weight of 349.43 g/mol. Its IUPAC name is benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Namebenzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
PubChem CID2551581
Molecular FormulaC22H22FN2O+
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Namebenzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
SMILESC[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H21FN2O/c1-16(22(26)25-20-15-9-8-14-19(20)23)24-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21,24H,1H3,(H,25,26)/p+1/t16-/m1/s1
InChIKeyRAXKHNASNHXVTP-MRXNPFEDSA-O
XLogP3.51
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755189
benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8545459
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391938
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391931
N-(2-fluorophenyl)-2-hydroxy-2-phenylacetamide
CID 82130440
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8755457
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium?
The IUPAC name of benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium (CID 2551581) is benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium is C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium?
The InChIKey is RAXKHNASNHXVTP-MRXNPFEDSA-O. The full InChI is InChI=1S/C22H21FN2O/c1-16(22(26)25-20-15-9-8-14-19(20)23)24-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21,24H,1H3,(H,25,26)/p+1/t16-/m1/s1.
What are the key properties of benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium?
benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium has a molecular weight of 349.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 2551581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).