2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide

C18H19Cl2NO2 — CID 3076149

IUPAC2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide
SMILESCC[C@H](O)CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-2-16(22)11-21-18(23)17(12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h3-10,16-17,22H,2,11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyQJAXJTDUOBFFJZ-INIZCTEOSA-N
MW352.26 g/mol
LogP4.01
Rot. Bonds6

About 2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide

2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide (PubChem CID 3076149) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide
PubChem CID3076149
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide
SMILESCC[C@H](O)CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-2-16(22)11-21-18(23)17(12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h3-10,16-17,22H,2,11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyQJAXJTDUOBFFJZ-INIZCTEOSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide?
The IUPAC name of 2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide (CID 3076149) is 2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide is CC[C@H](O)CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide?
The InChIKey is QJAXJTDUOBFFJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-2-16(22)11-21-18(23)17(12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h3-10,16-17,22H,2,11H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide?
2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide has a molecular weight of 352.26 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-N-[(2S)-2-hydroxybutyl]acetamide is sourced from PubChem (CID 3076149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).