N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide

C13H17BrN2O2 — CID 66265081

IUPACN-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-8-3-4-9(5-11(8)14)16-13(17)10-6-18-7-12(10)15-2/h3-5,10,12,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyUXCLAMGAICABET-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.93
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide

N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265081) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66265081
Molecular FormulaC13H17BrN2O2
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC NameN-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-8-3-4-9(5-11(8)14)16-13(17)10-6-18-7-12(10)15-2/h3-5,10,12,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyUXCLAMGAICABET-UHFFFAOYSA-N
XLogP1.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
4-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 66267762
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988
N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
CID 107805191
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267349
N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265960
N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267430
N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265600
4-(methylamino)-N-(4-propan-2-yloxyphenyl)oxolane-3-carboxamide
CID 66266361
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide
CID 66267561
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266787

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide (CID 66265081) is N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is UXCLAMGAICABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8-3-4-9(5-11(8)14)16-13(17)10-6-18-7-12(10)15-2/h3-5,10,12,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).