N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide

C13H14BrN3O2 — CID 82708526

IUPACN-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C13H14BrN3O2/c1-16-12-7-19-6-10(12)13(18)17-11-3-2-9(14)4-8(11)5-15/h2-4,10,12,16H,6-7H2,1H3,(H,17,18)
InChIKeyFPRBIVUBXIUNCK-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.49
Rot. Bonds3

About N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide

N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 82708526) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID82708526
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC NameN-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C13H14BrN3O2/c1-16-12-7-19-6-10(12)13(18)17-11-3-2-9(14)4-8(11)5-15/h2-4,10,12,16H,6-7H2,1H3,(H,17,18)
InChIKeyFPRBIVUBXIUNCK-UHFFFAOYSA-N
XLogP1.49
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82016739
N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide
CID 81498745
N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267430
N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265960
N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 82683106
N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 82707865
4-(methylamino)-N-(2-methyl-5-nitrophenyl)oxolane-3-carboxamide
CID 66267175
N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 81287725
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
cis-(1R,2S)-2-(4-bromo-2-cyanoanilino)-N-methylcyclopentane-1-carboxamide
CID 129358528
(4-bromo-2-cyanophenyl)urea
CID 82708837
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide (CID 82708526) is N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc(Br)cc1C#N.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is FPRBIVUBXIUNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-16-12-7-19-6-10(12)13(18)17-11-3-2-9(14)4-8(11)5-15/h2-4,10,12,16H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide?
N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 82708526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).