(2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide

C25H24ClF3N2O3 — CID 25010719

IUPAC(2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide
SMILESC[C@](N)(CO)C(=O)Nc1cc(Cl)c(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C25H24ClF3N2O3/c1-24(30,15-32)23(33)31-19-13-20(25(27,28)29)22(21(26)14-19)34-12-11-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-14,32H,11-12,15,30H2,1H3,(H,31,33)/t24-/m0/s1
InChIKeyGWEFMKRQKPYISU-DEOSSOPVSA-N
MW492.93 g/mol
LogP5.30
Rot. Bonds8

About (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide

(2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide (PubChem CID 25010719) has the molecular formula C25H24ClF3N2O3 and a molecular weight of 492.93 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide
PubChem CID25010719
Molecular FormulaC25H24ClF3N2O3
Molecular Weight492.93 g/mol
Exact Mass492.14
IUPAC Name(2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide
SMILESC[C@](N)(CO)C(=O)Nc1cc(Cl)c(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C25H24ClF3N2O3/c1-24(30,15-32)23(33)31-19-13-20(25(27,28)29)22(21(26)14-19)34-12-11-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-14,32H,11-12,15,30H2,1H3,(H,31,33)/t24-/m0/s1
InChIKeyGWEFMKRQKPYISU-DEOSSOPVSA-N
XLogP5.30
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.93
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide 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

[(2S)-2-amino-3-[3-bromo-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)anilino]-2-methyl-3-oxopropyl] dihydrogen phosphate
CID 25008094
[(2S)-2-amino-3-[3-methoxy-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)anilino]-2-methyl-3-oxopropyl] dihydrogen phosphate
CID 25010541
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 11518212
2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 69266314
(2S)-2-amino-N-[2-bromo-4-[2-(4-phenylphenyl)ethoxy]-3-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 25010369
[(2S)-2-amino-2-methyl-3-oxo-3-[4-[2-(4-phenylphenyl)ethoxy]anilino]propyl] dihydrogen phosphate
CID 11540052
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide
CID 11682809
2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 73021177
[(2S)-2-amino-2-methyl-3-oxo-3-[4-(4-phenylphenoxy)-3-(trifluoromethyl)anilino]propyl] dihydrogen phosphate
CID 58725033
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
[(2S)-2-amino-2-methyl-3-oxo-3-[4-[2-(4-phenylphenyl)ethylsulfanyl]anilino]propyl] dihydrogen phosphate
CID 58907532
prop-1-en-2-yl N-[(2S)-3-hydroxy-2-methyl-1-[3-methyl-4-[2-(4-phenylphenyl)ethoxy]anilino]-1-oxopropan-2-yl]carbamate
CID 89344472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide (CID 25010719) is (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide is C[C@](N)(CO)C(=O)Nc1cc(Cl)c(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide?
The InChIKey is GWEFMKRQKPYISU-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24ClF3N2O3/c1-24(30,15-32)23(33)31-19-13-20(25(27,28)29)22(21(26)14-19)34-12-11-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-14,32H,11-12,15,30H2,1H3,(H,31,33)/t24-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide?
(2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide has a molecular weight of 492.93 g/mol, XLogP of 5.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 25010719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).