N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide

C13H16BrFN2O2 — CID 66267402

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C13H16BrFN2O2/c1-16-12-7-19-6-10(12)13(18)17-5-8-4-9(15)2-3-11(8)14/h2-4,10,12,16H,5-7H2,1H3,(H,17,18)
InChIKeyWHLBVKLCNXJECR-UHFFFAOYSA-N
MW331.19 g/mol
LogP1.44
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide

N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267402) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267402
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C13H16BrFN2O2/c1-16-12-7-19-6-10(12)13(18)17-5-8-4-9(15)2-3-11(8)14/h2-4,10,12,16H,5-7H2,1H3,(H,17,18)
InChIKeyWHLBVKLCNXJECR-UHFFFAOYSA-N
XLogP1.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66266257
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265055
2-[(2-bromo-5-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61016926
(1S,6R)-6-[(2-bromo-5-fluorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93444649
4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide
CID 106417047
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625654
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
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266798
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide (CID 66267402) is N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is WHLBVKLCNXJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-16-12-7-19-6-10(12)13(18)17-5-8-4-9(15)2-3-11(8)14/h2-4,10,12,16H,5-7H2,1H3,(H,17,18).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 331.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).