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

C17H14BrNO3 — CID 46683025

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)o1
InChIInChI=1S/C17H14BrNO3/c1-11-2-8-16(21-11)17(20)19-10-14-7-9-15(22-14)12-3-5-13(18)6-4-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyBCCFEUFDLARFHI-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.54
Rot. Bonds4

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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide (PubChem CID 46683025) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
PubChem CID46683025
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)o1
InChIInChI=1S/C17H14BrNO3/c1-11-2-8-16(21-11)17(20)19-10-14-7-9-15(22-14)12-3-5-13(18)6-4-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyBCCFEUFDLARFHI-UHFFFAOYSA-N
XLogP4.54
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17335206
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
CID 9204101
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 24588447
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 24588409
3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide
CID 46691827
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 71899906
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
CID 24588410

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide (CID 46683025) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide?
The InChIKey is BCCFEUFDLARFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO3/c1-11-2-8-16(21-11)17(20)19-10-14-7-9-15(22-14)12-3-5-13(18)6-4-12/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 4.54, 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]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 46683025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).