(2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide

C19H21F3N2O — CID 126622264

IUPAC(2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O/c1-12(2)24-18(25)17(23)11-13-8-9-15(14-6-4-3-5-7-14)16(10-13)19(20,21)22/h3-10,12,17H,11,23H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyWLRUBJUSPHAVTP-KRWDZBQOSA-N
MW350.38 g/mol
LogP3.77
Rot. Bonds5

About (2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide

(2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide (PubChem CID 126622264) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide
PubChem CID126622264
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name(2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O/c1-12(2)24-18(25)17(23)11-13-8-9-15(14-6-4-3-5-7-14)16(10-13)19(20,21)22/h3-10,12,17H,11,23H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyWLRUBJUSPHAVTP-KRWDZBQOSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide
CID 126622341
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide
CID 135306568
2-[(2-amino-3-phenylpropanoyl)amino]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 146451657
2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
CID 152563260
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 170879844
methyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170883863
ethyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170885356
(2,2,2-trifluoroacetyl) (2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 175150702
(3S)-3-(propan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 148776876
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide (CID 126622264) is (2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide?
The InChIKey is WLRUBJUSPHAVTP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-12(2)24-18(25)17(23)11-13-8-9-15(14-6-4-3-5-7-14)16(10-13)19(20,21)22/h3-10,12,17H,11,23H2,1-2H3,(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide?
(2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide has a molecular weight of 350.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 126622264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).