2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide

C15H20BrNO4 — CID 106853558

IUPAC2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide
SMILESO=C(c1ccoc1Br)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H20BrNO4/c16-14-13(5-8-21-14)15(18)17(9-11-3-1-6-19-11)10-12-4-2-7-20-12/h5,8,11-12H,1-4,6-7,9-10H2
InChIKeyBUCXYOCXWBNMEN-UHFFFAOYSA-N
MW358.23 g/mol
LogP2.84
Rot. Bonds5

About 2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide

2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide (PubChem CID 106853558) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide
PubChem CID106853558
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide
SMILESO=C(c1ccoc1Br)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H20BrNO4/c16-14-13(5-8-21-14)15(18)17(9-11-3-1-6-19-11)10-12-4-2-7-20-12/h5,8,11-12H,1-4,6-7,9-10H2
InChIKeyBUCXYOCXWBNMEN-UHFFFAOYSA-N
XLogP2.84
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106856675
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42094625
N-[3-(dipropylamino)-3-oxopropyl]-2-methyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780309
2-bromo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219384
2-bromo-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219383
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 6548334
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 3347701
4-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94817152
2-bromo-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120010
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 94185139

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide (CID 106853558) is 2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide is O=C(c1ccoc1Br)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide?
The InChIKey is BUCXYOCXWBNMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c16-14-13(5-8-21-14)15(18)17(9-11-3-1-6-19-11)10-12-4-2-7-20-12/h5,8,11-12H,1-4,6-7,9-10H2.
What are the key properties of 2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide?
2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide has a molecular weight of 358.23 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 106853558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).