N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide

C20H20ClNO — CID 166063904

IUPACN-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C1=C(c2cccc(Cl)c2)C(C)(C)C1
InChIInChI=1S/C20H20ClNO/c1-13(23)22-18-10-5-4-9-16(18)17-12-20(2,3)19(17)14-7-6-8-15(21)11-14/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyGMHZWQLOVAXHEV-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.64
Rot. Bonds3

About N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide

N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide (PubChem CID 166063904) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide
PubChem CID166063904
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC NameN-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C1=C(c2cccc(Cl)c2)C(C)(C)C1
InChIInChI=1S/C20H20ClNO/c1-13(23)22-18-10-5-4-9-16(18)17-12-20(2,3)19(17)14-7-6-8-15(21)11-14/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyGMHZWQLOVAXHEV-UHFFFAOYSA-N
XLogP5.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide?
The IUPAC name of N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide (CID 166063904) is N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide is CC(=O)Nc1ccccc1C1=C(c2cccc(Cl)c2)C(C)(C)C1.
What is the InChIKey of N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide?
The InChIKey is GMHZWQLOVAXHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c1-13(23)22-18-10-5-4-9-16(18)17-12-20(2,3)19(17)14-7-6-8-15(21)11-14/h4-11H,12H2,1-3H3,(H,22,23).
What are the key properties of N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide?
N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide has a molecular weight of 325.84 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide is sourced from PubChem (CID 166063904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).