(2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide

C27H23F2N3O2 — CID 167525844

IUPAC(2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
SMILESCOc1cncc(F)c1-c1ccc(NC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C27H23F2N3O2/c1-34-23-16-31-15-22(29)25(23)20-13-12-19(14-21(20)28)32-27(33)26(30)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,24,26H,30H2,1H3,(H,32,33)/t26-/m0/s1
InChIKeyAALZVVLBQCVGSF-SANMLTNESA-N
MW459.50 g/mol
LogP5.13
Rot. Bonds7

About (2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide

(2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide (PubChem CID 167525844) has the molecular formula C27H23F2N3O2 and a molecular weight of 459.50 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
PubChem CID167525844
Molecular FormulaC27H23F2N3O2
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name(2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
SMILESCOc1cncc(F)c1-c1ccc(NC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C27H23F2N3O2/c1-34-23-16-31-15-22(29)25(23)20-13-12-19(14-21(20)28)32-27(33)26(30)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,24,26H,30H2,1H3,(H,32,33)/t26-/m0/s1
InChIKeyAALZVVLBQCVGSF-SANMLTNESA-N
XLogP5.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)-3-fluorophenyl]-3,3-diphenylpropanamide;dihydrochloride
CID 167525917
(2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
CID 167525726
(2S)-2-amino-N-[3-fluoro-4-(1-methyl-2-oxopyrimidin-5-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
CID 167525840
(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525916
(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
CID 81425486
2-amino-N-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 24703599
(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525780
N-(3,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956436
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
2-amino-N-(4-fluoro-3-methylphenyl)-2-phenylacetamide
CID 55118745
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide (CID 167525844) is (2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide is COc1cncc(F)c1-c1ccc(NC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)cc1F.
What is the InChIKey of (2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The InChIKey is AALZVVLBQCVGSF-SANMLTNESA-N. The full InChI is InChI=1S/C27H23F2N3O2/c1-34-23-16-31-15-22(29)25(23)20-13-12-19(14-21(20)28)32-27(33)26(30)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,24,26H,30H2,1H3,(H,32,33)/t26-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
(2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide has a molecular weight of 459.50 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 167525844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).