5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide

C12H10BrNO3 — CID 730614

IUPAC5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C12H10BrNO3/c1-16-9-4-2-8(3-5-9)14-12(15)10-6-7-11(13)17-10/h2-7H,1H3,(H,14,15)
InChIKeyMMCCNWDRAXHBEG-UHFFFAOYSA-N
MW296.12 g/mol
LogP3.30
Rot. Bonds3

About 5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide

5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 730614) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID730614
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C12H10BrNO3/c1-16-9-4-2-8(3-5-9)14-12(15)10-6-7-11(13)17-10/h2-7H,1H3,(H,14,15)
InChIKeyMMCCNWDRAXHBEG-UHFFFAOYSA-N
XLogP3.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenyl-2-furancarboxamide
CID 220406
N-(3-fluorophenyl)furan-2-carboxamide
CID 306831
N-(4-bromophenyl)furan-2-carboxamide
CID 531895
N-[4-(diethylamino)phenyl]-2-furancarboxamide
CID 675057
4'-Methoxy-2-furanilide
CID 303388
N-(4-Fluorophenyl)-2-furamide
CID 531893
5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide
CID 1348179
N-(4-acetamidophenyl)-5-acetylfuran-2-carboxamide
CID 155427942
N-(3,4-difluorophenyl)furan-2-carboxamide
CID 743722
N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 774010
N-(3-methoxyphenyl)furan-2-carboxamide
CID 669405
N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide
CID 2795636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide (CID 730614) is 5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is MMCCNWDRAXHBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-16-9-4-2-8(3-5-9)14-12(15)10-6-7-11(13)17-10/h2-7H,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide?
5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 296.12 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 730614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).