N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide

C13H17ClN2O2 — CID 114252133

IUPACN-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1cccc(C)c1Cl
InChIInChI=1S/C13H17ClN2O2/c1-8-4-3-5-10(12(8)14)16-13(17)9-6-18-7-11(9)15-2/h3-5,9,11,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyIVHOENIGLPNJPU-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.82
Rot. Bonds3

About N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide

N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 114252133) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID114252133
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1cccc(C)c1Cl
InChIInChI=1S/C13H17ClN2O2/c1-8-4-3-5-10(12(8)14)16-13(17)9-6-18-7-11(9)15-2/h3-5,9,11,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyIVHOENIGLPNJPU-UHFFFAOYSA-N
XLogP1.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266165
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide
CID 66266779
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide
CID 66267561
4-(methylamino)-N-(2-methyl-5-nitrophenyl)oxolane-3-carboxamide
CID 66267175
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
N-(2-methoxy-5-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265957
4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide
CID 66240994
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
N-(2-chloro-6-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66254364

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide (CID 114252133) is N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1cccc(C)c1Cl.
What is the InChIKey of N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is IVHOENIGLPNJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-4-3-5-10(12(8)14)16-13(17)9-6-18-7-11(9)15-2/h3-5,9,11,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 114252133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).