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

C16H11Br2NO3 — CID 17335172

IUPAC5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Br)o1
InChIInChI=1S/C16H11Br2NO3/c17-11-3-1-10(2-4-11)13-6-5-12(21-13)9-19-16(20)14-7-8-15(18)22-14/h1-8H,9H2,(H,19,20)
InChIKeyDTMCNGWSJLSTLZ-UHFFFAOYSA-N
MW425.08 g/mol
LogP4.99
Rot. Bonds4

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

5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide (PubChem CID 17335172) has the molecular formula C16H11Br2NO3 and a molecular weight of 425.08 g/mol. Its IUPAC name is 5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
PubChem CID17335172
Molecular FormulaC16H11Br2NO3
Molecular Weight425.08 g/mol
Exact Mass422.91
IUPAC Name5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Br)o1
InChIInChI=1S/C16H11Br2NO3/c17-11-3-1-10(2-4-11)13-6-5-12(21-13)9-19-16(20)14-7-8-15(18)22-14/h1-8H,9H2,(H,19,20)
InChIKeyDTMCNGWSJLSTLZ-UHFFFAOYSA-N
XLogP4.99
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.08
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
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]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide
CID 46691827
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 24588409
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]-3-methylbenzamide
CID 9204101
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976281

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide (CID 17335172) is 5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide is O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide?
The InChIKey is DTMCNGWSJLSTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO3/c17-11-3-1-10(2-4-11)13-6-5-12(21-13)9-19-16(20)14-7-8-15(18)22-14/h1-8H,9H2,(H,19,20).
What are the key properties of 5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 425.08 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 17335172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).