N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide

C13H16F2N2O2 — CID 66266257

IUPACN-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C13H16F2N2O2/c1-16-12-7-19-6-10(12)13(18)17-5-8-4-9(14)2-3-11(8)15/h2-4,10,12,16H,5-7H2,1H3,(H,17,18)
InChIKeyYUIVQVQJDFQSCA-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.82
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide

N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66266257) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID66266257
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C13H16F2N2O2/c1-16-12-7-19-6-10(12)13(18)17-5-8-4-9(14)2-3-11(8)15/h2-4,10,12,16H,5-7H2,1H3,(H,17,18)
InChIKeyYUIVQVQJDFQSCA-UHFFFAOYSA-N
XLogP0.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267402
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265055
2-[(2,5-difluorophenyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391019
cis-(1R,2S)-2-[(2,5-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129379157
2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978789
4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide
CID 106417047
2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823086
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266798
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
4-(methylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66266558
N-(2-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82016739
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide (CID 66266257) is N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is YUIVQVQJDFQSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-16-12-7-19-6-10(12)13(18)17-5-8-4-9(14)2-3-11(8)15/h2-4,10,12,16H,5-7H2,1H3,(H,17,18).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66266257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).