(2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide

C24H28ClF3N2O3 — CID 157213515

IUPAC(2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide
SMILESCC(C)[C@H](CC(=O)[C@@H](NC(=O)[C@H](N)Cc1cccc(Cl)c1)c1ccccc1)[C@H](O)C(F)(F)F
InChIInChI=1S/C24H28ClF3N2O3/c1-14(2)18(22(32)24(26,27)28)13-20(31)21(16-8-4-3-5-9-16)30-23(33)19(29)12-15-7-6-10-17(25)11-15/h3-11,14,18-19,21-22,32H,12-13,29H2,1-2H3,(H,30,33)/t18-,19+,21-,22-/m0/s1
InChIKeyASDPYYICEORZHI-MXNKGDRCSA-N
MW484.95 g/mol
LogP4.22
Rot. Bonds10

About (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide

(2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide (PubChem CID 157213515) has the molecular formula C24H28ClF3N2O3 and a molecular weight of 484.95 g/mol. Its IUPAC name is (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide
PubChem CID157213515
Molecular FormulaC24H28ClF3N2O3
Molecular Weight484.95 g/mol
Exact Mass484.17
IUPAC Name(2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide
SMILESCC(C)[C@H](CC(=O)[C@@H](NC(=O)[C@H](N)Cc1cccc(Cl)c1)c1ccccc1)[C@H](O)C(F)(F)F
InChIInChI=1S/C24H28ClF3N2O3/c1-14(2)18(22(32)24(26,27)28)13-20(31)21(16-8-4-3-5-9-16)30-23(33)19(29)12-15-7-6-10-17(25)11-15/h3-11,14,18-19,21-22,32H,12-13,29H2,1-2H3,(H,30,33)/t18-,19+,21-,22-/m0/s1
InChIKeyASDPYYICEORZHI-MXNKGDRCSA-N
XLogP4.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide with MolForge

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Related Compounds

(2S)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide
CID 157213514
(2S)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-1-(3-methoxyphenyl)-2-oxo-4-propan-2-ylhexyl]propanamide
CID 161471334
4-[[2-[[2-amino-3-(3-chlorophenyl)propanoyl]amino]-2-phenylacetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 137364826
(3R,4S,7S)-7-[[(2S)-2-amino-3-(3-fluorophenyl)propanoyl]amino]-2,2-difluoro-3-hydroxy-7-(4-methoxyphenyl)-6-oxo-4-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide
CID 159230721
[3-(3-chlorophenyl)-1-[[2-[[5,5-difluoro-4-hydroxy-2-methyl-6-oxo-6-(2,2,2-trifluoroethylamino)hexan-3-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 137365035
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-1-(4-methoxyphenyl)-2-oxo-4-propan-2-ylhexyl]propanamide
CID 159920814
[3-(3-chlorophenyl)-1-[[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]ethyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 137365982
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
CID 169433659
2-amino-3-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]ethyl]propanamide
CID 137366051
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide (CID 157213515) is (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide is CC(C)[C@H](CC(=O)[C@@H](NC(=O)[C@H](N)Cc1cccc(Cl)c1)c1ccccc1)[C@H](O)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide?
The InChIKey is ASDPYYICEORZHI-MXNKGDRCSA-N. The full InChI is InChI=1S/C24H28ClF3N2O3/c1-14(2)18(22(32)24(26,27)28)13-20(31)21(16-8-4-3-5-9-16)30-23(33)19(29)12-15-7-6-10-17(25)11-15/h3-11,14,18-19,21-22,32H,12-13,29H2,1-2H3,(H,30,33)/t18-,19+,21-,22-/m0/s1.
What are the key properties of (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide?
(2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide has a molecular weight of 484.95 g/mol, XLogP of 4.22, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3-chlorophenyl)-N-[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-2-oxo-1-phenyl-4-propan-2-ylhexyl]propanamide is sourced from PubChem (CID 157213515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).