N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide

C15H17BrN2O2 — CID 82707865

IUPACN-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2ccc(Br)cc2C#N)C1C
InChIInChI=1S/C15H17BrN2O2/c1-8-9(2)20-10(3)14(8)15(19)18-13-5-4-12(16)6-11(13)7-17/h4-6,8-10,14H,1-3H3,(H,18,19)
InChIKeyJYYGUVBCAQKYIN-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.32
Rot. Bonds2

About N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 82707865) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID82707865
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2ccc(Br)cc2C#N)C1C
InChIInChI=1S/C15H17BrN2O2/c1-8-9(2)20-10(3)14(8)15(19)18-13-5-4-12(16)6-11(13)7-17/h4-6,8-10,14H,1-3H3,(H,18,19)
InChIKeyJYYGUVBCAQKYIN-UHFFFAOYSA-N
XLogP3.32
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-carbamothioylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 82693983
N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide
CID 81498745
(4-bromo-2-cyanophenyl)urea
CID 82708837
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82708526
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
N-(4-bromo-2-cyanophenyl)azepane-2-carboxamide
CID 82708278
N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
CID 82708389
(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide
CID 82708502
2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939
N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
CID 103020238
N-(5-bromo-2-cyanophenyl)-5-methyloxolane-3-carboxamide
CID 102676308

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 82707865) is N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)Nc2ccc(Br)cc2C#N)C1C.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is JYYGUVBCAQKYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-8-9(2)20-10(3)14(8)15(19)18-13-5-4-12(16)6-11(13)7-17/h4-6,8-10,14H,1-3H3,(H,18,19).
What are the key properties of N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 82707865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).