N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide

C16H16BrNO3 — CID 24646075

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)C1CCCO1
InChIInChI=1S/C16H16BrNO3/c17-12-5-3-11(4-6-12)14-8-7-13(21-14)10-18-16(19)15-2-1-9-20-15/h3-8,15H,1-2,9-10H2,(H,18,19)
InChIKeyXYXBMKVOTNJNTL-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.50
Rot. Bonds4

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 24646075) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide
PubChem CID24646075
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)C1CCCO1
InChIInChI=1S/C16H16BrNO3/c17-12-5-3-11(4-6-12)14-8-7-13(21-14)10-18-16(19)15-2-1-9-20-15/h3-8,15H,1-2,9-10H2,(H,18,19)
InChIKeyXYXBMKVOTNJNTL-UHFFFAOYSA-N
XLogP3.50
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
CID 24588410
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 51948734
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021
(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
CID 103872325
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
4-[5-[(oxolan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid
CID 17056052
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 17335196
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide (CID 24646075) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide is O=C(NCc1ccc(-c2ccc(Br)cc2)o1)C1CCCO1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is XYXBMKVOTNJNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c17-12-5-3-11(4-6-12)14-8-7-13(21-14)10-18-16(19)15-2-1-9-20-15/h3-8,15H,1-2,9-10H2,(H,18,19).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 350.21 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 24646075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).