benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate

C20H16F3NO2 — CID 164675540

IUPACbenzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate
SMILESO=C(OCc1ccccc1)[C@@H](Nc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)18(19(25)26-13-14-6-2-1-3-7-14)24-17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18,24H,13H2/t18-/m1/s1
InChIKeyKSXGNAMDXXJPGL-GOSISDBHSA-N
MW359.35 g/mol
LogP4.93
Rot. Bonds5

About benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate

benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate (PubChem CID 164675540) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate
PubChem CID164675540
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Namebenzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate
SMILESO=C(OCc1ccccc1)[C@@H](Nc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)18(19(25)26-13-14-6-2-1-3-7-14)24-17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18,24H,13H2/t18-/m1/s1
InChIKeyKSXGNAMDXXJPGL-GOSISDBHSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl {(2S)-4-methyl-1-[(naphthalen-2-yl)amino]-1-oxopentan-2-yl}carbamate
CID 16219157
Carbobenzyloxy-D-alanine beta-naphthylamide
CID 51062750
benzyl (2R)-2-(4-tert-butylanilino)-3,3,3-trifluoropropanoate
CID 164673379
(2,5-dimethylphenyl)methyl (2S)-2-anilino-3,3,3-trifluoropropanoate
CID 164675806
(2,5-dimethylphenyl)methyl (2S)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate
CID 164675808
ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate
CID 155937426
benzyl (2S)-2-anilinopropanoate
CID 21117728
N-(2-naphthyl) alanine undecyl ester
CID 57117072
Benzyl 2-(4-methylanilino)acetate
CID 60721801
methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate
CID 162417917
(3-Anilinophenyl)methyl 3-methyl-2-[4-(trifluoromethyl)anilino]butanoate
CID 13080356
Benzyl 2-[[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]acetate
CID 18943679

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate?
The IUPAC name of benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate (CID 164675540) is benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate.
What is the SMILES notation for benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate?
The canonical SMILES for benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate is O=C(OCc1ccccc1)[C@@H](Nc1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate?
The InChIKey is KSXGNAMDXXJPGL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)18(19(25)26-13-14-6-2-1-3-7-14)24-17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18,24H,13H2/t18-/m1/s1.
What are the key properties of benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate?
benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate has a molecular weight of 359.35 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-3,3,3-trifluoro-2-(naphthalen-2-ylamino)propanoate is sourced from PubChem (CID 164675540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).