5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide

C14H12BrN3O2 — CID 53163963

IUPAC5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide
SMILESCn1nc(CNC(=O)c2ccc(Br)o2)c2ccccc21
InChIInChI=1S/C14H12BrN3O2/c1-18-11-5-3-2-4-9(11)10(17-18)8-16-14(19)12-6-7-13(15)20-12/h2-7H,8H2,1H3,(H,16,19)
InChIKeyBEWNDDBZDICYHE-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.86
Rot. Bonds3

About 5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide

5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 53163963) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide
PubChem CID53163963
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide
SMILESCn1nc(CNC(=O)c2ccc(Br)o2)c2ccccc21
InChIInChI=1S/C14H12BrN3O2/c1-18-11-5-3-2-4-9(11)10(17-18)8-16-14(19)12-6-7-13(15)20-12/h2-7H,8H2,1H3,(H,16,19)
InChIKeyBEWNDDBZDICYHE-UHFFFAOYSA-N
XLogP2.86
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide (CID 53163963) is 5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide is Cn1nc(CNC(=O)c2ccc(Br)o2)c2ccccc21.
What is the InChIKey of 5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is BEWNDDBZDICYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-18-11-5-3-2-4-9(11)10(17-18)8-16-14(19)12-6-7-13(15)20-12/h2-7H,8H2,1H3,(H,16,19).
What are the key properties of 5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylindazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 53163963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).