(2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide

C12H16ClNO2 — CID 11021056

IUPAC(2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide
SMILESC[C@H](C(=O)N(C)C)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-8(12(16)14(2)3)11(15)9-4-6-10(13)7-5-9/h4-8,11,15H,1-3H3/t8-,11-/m0/s1
InChIKeyYATRCAVCHHFTHV-KWQFWETISA-N
MW241.72 g/mol
LogP2.10
Rot. Bonds3

About (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide

(2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide (PubChem CID 11021056) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name(2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide
PubChem CID11021056
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide
SMILESC[C@H](C(=O)N(C)C)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-8(12(16)14(2)3)11(15)9-4-6-10(13)7-5-9/h4-8,11,15H,1-3H3/t8-,11-/m0/s1
InChIKeyYATRCAVCHHFTHV-KWQFWETISA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
CID 2809533
3-(3-Chlorophenyl)-3-hydroxypropanamide
CID 662123
3-(4-chlorophenyl)-N,3-dihydroxypropanamide
CID 72707667
1-(4-Chlorophenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-ol
CID 40665
1-Pyrrolidinepropanamide, alpha-(2-(4-chlorophenyl)-2-hydroxyethyl)-, hydrate (2:1)
CID 3079181
Benzenebutanamide, alpha-((bis(2-methylpropyl)amino)methyl)-4-chloro-gamma-hydroxy-, hydrate
CID 3079182
3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 71727108
2-[(2-chlorophenyl)-hydroxymethyl]-N-propylprop-2-enamide
CID 118722959
3-(2,4-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155535566
3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155536133
3-(3-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155540829
3-(3,4-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155546187

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide?
The IUPAC name of (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide (CID 11021056) is (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide.
What is the SMILES notation for (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide?
The canonical SMILES for (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide is C[C@H](C(=O)N(C)C)[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide?
The InChIKey is YATRCAVCHHFTHV-KWQFWETISA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(12(16)14(2)3)11(15)9-4-6-10(13)7-5-9/h4-8,11,15H,1-3H3/t8-,11-/m0/s1.
What are the key properties of (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide?
(2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-N,N,2-trimethylpropanamide is sourced from PubChem (CID 11021056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).