2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid

C22H20FNO2 — CID 146161459

IUPAC2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H20FNO2/c23-20-13-11-19(12-14-20)21(22(25)26)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,25,26)
InChIKeyZTJFPTMDZRZQFS-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.65
Rot. Bonds7

About 2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid

2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid (PubChem CID 146161459) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid
PubChem CID146161459
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H20FNO2/c23-20-13-11-19(12-14-20)21(22(25)26)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,25,26)
InChIKeyZTJFPTMDZRZQFS-UHFFFAOYSA-N
XLogP4.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
Phenyl-pyrrolidin-1-yl-acetic acid
CID 646078
alpha-(Acetylmethylamino)-benzeneacetic acid
CID 3861124
methyl (2S)-2-(dibenzylamino)-3-(4-methylphenyl)propanoate
CID 168274365
2-Phenyl-2-(pyrrolidin-1-yl)acetic acid hydrochloride
CID 6603112
2-(2-Methylpiperidin-1-yl)-2-phenylacetic acid hydrochloride
CID 16189438
2-(Dimethylamino)-2-phenylacetic acid
CID 315599
(2S)-2-phenyl-2-(trimethylazaniumyl)acetate
CID 45266429
alpha-((2-Phenylacetyl)amino)benzeneacetic acid
CID 37026
Glycine, 2-phenyl-N-(phenylacetyl)-, L-
CID 212254

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid?
The IUPAC name of 2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid (CID 146161459) is 2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid is O=C(O)C(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid?
The InChIKey is ZTJFPTMDZRZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c23-20-13-11-19(12-14-20)21(22(25)26)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,25,26).
What are the key properties of 2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid?
2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid has a molecular weight of 349.41 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-2-(4-fluorophenyl)acetic acid is sourced from PubChem (CID 146161459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).