N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide

C20H20BrNO — CID 166063928

IUPACN-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)cc1C1=C(c2ccccc2)C(C)(C)C1
InChIInChI=1S/C20H20BrNO/c1-13(23)22-18-10-9-15(21)11-16(18)17-12-20(2,3)19(17)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyKFNTVUNRYJSMGB-UHFFFAOYSA-N
MW370.29 g/mol
LogP5.75
Rot. Bonds3

About N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide

N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide (PubChem CID 166063928) has the molecular formula C20H20BrNO and a molecular weight of 370.29 g/mol. Its IUPAC name is N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide
PubChem CID166063928
Molecular FormulaC20H20BrNO
Molecular Weight370.29 g/mol
Exact Mass369.07
IUPAC NameN-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)cc1C1=C(c2ccccc2)C(C)(C)C1
InChIInChI=1S/C20H20BrNO/c1-13(23)22-18-10-9-15(21)11-16(18)17-12-20(2,3)19(17)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyKFNTVUNRYJSMGB-UHFFFAOYSA-N
XLogP5.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide
CID 166063893
N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide
CID 166063904
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide
CID 166063894
2-acetamido-5-phenylbenzoic acid
CID 70700127
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-(4-bromo-2-cyclopropylphenyl)acetamide
CID 70079841
2-acetamido-4-bromo-N-methyl-N-phenylbenzamide
CID 141352408
4-bromophenol;N-(2-hydroxyphenyl)acetamide
CID 175122442
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-amino-5-bromobenzoate
CID 55307366
2-amino-N-(2,4-dibromophenyl)-2-phenylpropanamide
CID 62488230

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide (CID 166063928) is N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(Br)cc1C1=C(c2ccccc2)C(C)(C)C1.
What is the InChIKey of N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide?
The InChIKey is KFNTVUNRYJSMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO/c1-13(23)22-18-10-9-15(21)11-16(18)17-12-20(2,3)19(17)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,22,23).
What are the key properties of N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide?
N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide has a molecular weight of 370.29 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide is sourced from PubChem (CID 166063928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).