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

C16H22BrNO2 — CID 107574979

IUPACN-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCc1cc(NC(=O)C2C(C)OC(C)C2C)cc(C)c1Br
InChIInChI=1S/C16H22BrNO2/c1-8-6-13(7-9(2)15(8)17)18-16(19)14-10(3)11(4)20-12(14)5/h6-7,10-12,14H,1-5H3,(H,18,19)
InChIKeyOCOLPXVESRDQEE-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.06
Rot. Bonds2

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

N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 107574979) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID107574979
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCc1cc(NC(=O)C2C(C)OC(C)C2C)cc(C)c1Br
InChIInChI=1S/C16H22BrNO2/c1-8-6-13(7-9(2)15(8)17)18-16(19)14-10(3)11(4)20-12(14)5/h6-7,10-12,14H,1-5H3,(H,18,19)
InChIKeyOCOLPXVESRDQEE-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-3,5-dimethylphenyl)-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

3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157123
2-methyl-6-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157289
N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 104667369
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 82707865
N-(4-bromo-2-carbamothioylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 82693983
(4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154787
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107571596
methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate
CID 114916198
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65157325
N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 104619555

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 107574979) is N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide is Cc1cc(NC(=O)C2C(C)OC(C)C2C)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is OCOLPXVESRDQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-8-6-13(7-9(2)15(8)17)18-16(19)14-10(3)11(4)20-12(14)5/h6-7,10-12,14H,1-5H3,(H,18,19).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 340.26 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 107574979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).