N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide

C15H13Cl2NO2 — CID 155929785

IUPACN-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1cccc(Cl)c1)c1cc(O)cc(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c1-9(19)18-15(10-3-2-4-12(16)5-10)11-6-13(17)8-14(20)7-11/h2-8,15,20H,1H3,(H,18,19)/t15-/m0/s1
InChIKeyWZGYODPAENLNAX-HNNXBMFYSA-N
MW310.18 g/mol
LogP3.92
Rot. Bonds3

About N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide

N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide (PubChem CID 155929785) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide
PubChem CID155929785
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC NameN-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1cccc(Cl)c1)c1cc(O)cc(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c1-9(19)18-15(10-3-2-4-12(16)5-10)11-6-13(17)8-14(20)7-11/h2-8,15,20H,1H3,(H,18,19)/t15-/m0/s1
InChIKeyWZGYODPAENLNAX-HNNXBMFYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide?
The IUPAC name of N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide (CID 155929785) is N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide is CC(=O)N[C@@H](c1cccc(Cl)c1)c1cc(O)cc(Cl)c1.
What is the InChIKey of N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide?
The InChIKey is WZGYODPAENLNAX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9(19)18-15(10-3-2-4-12(16)5-10)11-6-13(17)8-14(20)7-11/h2-8,15,20H,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide?
N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide has a molecular weight of 310.18 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-chloro-5-hydroxyphenyl)-(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 155929785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).