N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide

C26H26Cl3NO2 — CID 23404712

IUPACN-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)Oc1cc(Cl)cc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C26H26Cl3NO2/c1-17(30-25(31)26(2,3)32-23-15-21(28)14-22(29)16-23)24(19-7-5-4-6-8-19)13-18-9-11-20(27)12-10-18/h4-12,14-17,24H,13H2,1-3H3,(H,30,31)/t17-,24+/m0/s1
InChIKeyXLZDVTNCFPUPNX-BXKMTCNYSA-N
MW490.86 g/mol
LogP7.34
Rot. Bonds8

About N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide

N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide (PubChem CID 23404712) has the molecular formula C26H26Cl3NO2 and a molecular weight of 490.86 g/mol. Its IUPAC name is N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
PubChem CID23404712
Molecular FormulaC26H26Cl3NO2
Molecular Weight490.86 g/mol
Exact Mass489.10
IUPAC NameN-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)Oc1cc(Cl)cc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C26H26Cl3NO2/c1-17(30-25(31)26(2,3)32-23-15-21(28)14-22(29)16-23)24(19-7-5-4-6-8-19)13-18-9-11-20(27)12-10-18/h4-12,14-17,24H,13H2,1-3H3,(H,30,31)/t17-,24+/m0/s1
InChIKeyXLZDVTNCFPUPNX-BXKMTCNYSA-N
XLogP7.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.86
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(4-cyanophenoxy)-2-methylpropanamide
CID 23404717
2-(4-chlorophenoxy)-N-[4-(4-cyanophenyl)-3-phenylbutan-2-yl]-2-methylpropanamide
CID 10216927
N-[(2S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(4-cyanophenoxy)-2-methylpropanamide
CID 142807524
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(5-chloropyrimidin-2-yl)oxy-2-methylpropanamide
CID 23404721
2-(3-chlorophenoxy)-N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methylpropanamide
CID 129391340
N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
CID 22270472
2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 42606112
N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
CID 142807512
6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide
CID 59846819
N-[(2S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-4-(3,5-dichlorophenyl)-3,3-dimethylbut-1-en-2-amine
CID 143797713
[1-[[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl] 4-chlorobenzoate
CID 25033506
2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 91579744

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide (CID 23404712) is N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide is C[C@H](NC(=O)C(C)(C)Oc1cc(Cl)cc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide?
The InChIKey is XLZDVTNCFPUPNX-BXKMTCNYSA-N. The full InChI is InChI=1S/C26H26Cl3NO2/c1-17(30-25(31)26(2,3)32-23-15-21(28)14-22(29)16-23)24(19-7-5-4-6-8-19)13-18-9-11-20(27)12-10-18/h4-12,14-17,24H,13H2,1-3H3,(H,30,31)/t17-,24+/m0/s1.
What are the key properties of N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide?
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide has a molecular weight of 490.86 g/mol, XLogP of 7.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 23404712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).