[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium

C17H19F2N2O+ — CID 7897281

IUPAC[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-21(2)16(12-6-4-3-5-7-12)11-20-17(22)13-8-14(18)10-15(19)9-13/h3-10,16H,11H2,1-2H3,(H,20,22)/p+1/t16-/m0/s1
InChIKeySDNDFXUSMLLOMH-INIZCTEOSA-O
MW305.35 g/mol
LogP1.58
Rot. Bonds5

About [(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium

[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium (PubChem CID 7897281) has the molecular formula C17H19F2N2O+ and a molecular weight of 305.35 g/mol. Its IUPAC name is [(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium
PubChem CID7897281
Molecular FormulaC17H19F2N2O+
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-21(2)16(12-6-4-3-5-7-12)11-20-17(22)13-8-14(18)10-15(19)9-13/h3-10,16H,11H2,1-2H3,(H,20,22)/p+1/t16-/m0/s1
InChIKeySDNDFXUSMLLOMH-INIZCTEOSA-O
XLogP1.58
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium
CID 2408731
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 2433840
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214
3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide
CID 114308397
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
dimethyl-[(1R)-1-phenyl-2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl]azanium
CID 2375617
[(1S)-2-[[2-(4-bromophenyl)acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 2098274
[(1S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2117468
[(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium
CID 7496036

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium (CID 7897281) is [(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium is C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of [(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium?
The InChIKey is SDNDFXUSMLLOMH-INIZCTEOSA-O. The full InChI is InChI=1S/C17H18F2N2O/c1-21(2)16(12-6-4-3-5-7-12)11-20-17(22)13-8-14(18)10-15(19)9-13/h3-10,16H,11H2,1-2H3,(H,20,22)/p+1/t16-/m0/s1.
What are the key properties of [(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium?
[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium has a molecular weight of 305.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium is sourced from PubChem (CID 7897281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).