2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide

C14H20ClNO2 — CID 25263457

IUPAC2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-3-10(2)13(9-17)16-14(18)8-11-4-6-12(15)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,16,18)/t10-,13+/m0/s1
InChIKeyGYTXXBXPSUKMTD-GXFFZTMASA-N
MW269.77 g/mol
LogP2.41
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide

2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide (PubChem CID 25263457) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
PubChem CID25263457
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-3-10(2)13(9-17)16-14(18)8-11-4-6-12(15)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,16,18)/t10-,13+/m0/s1
InChIKeyGYTXXBXPSUKMTD-GXFFZTMASA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide (CID 25263457) is 2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide is CC[C@H](C)[C@@H](CO)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide?
The InChIKey is GYTXXBXPSUKMTD-GXFFZTMASA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-10(2)13(9-17)16-14(18)8-11-4-6-12(15)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,16,18)/t10-,13+/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide?
2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide is sourced from PubChem (CID 25263457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).