5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide

C19H13BrN2O2 — CID 46334471

IUPAC5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(Br)o1
InChIInChI=1S/C19H13BrN2O2/c20-18-10-9-17(24-18)19(23)21-14-7-5-12(6-8-14)16-11-13-3-1-2-4-15(13)22-16/h1-11,22H,(H,21,23)
InChIKeyOBTYLYHECHHESR-UHFFFAOYSA-N
MW381.23 g/mol
LogP5.44
Rot. Bonds3

About 5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 46334471) has the molecular formula C19H13BrN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide
PubChem CID46334471
Molecular FormulaC19H13BrN2O2
Molecular Weight381.23 g/mol
Exact Mass380.02
IUPAC Name5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(Br)o1
InChIInChI=1S/C19H13BrN2O2/c20-18-10-9-17(24-18)19(23)21-14-7-5-12(6-8-14)16-11-13-3-1-2-4-15(13)22-16/h1-11,22H,(H,21,23)
InChIKeyOBTYLYHECHHESR-UHFFFAOYSA-N
XLogP5.44
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.23
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide (CID 46334471) is 5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is OBTYLYHECHHESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O2/c20-18-10-9-17(24-18)19(23)21-14-7-5-12(6-8-14)16-11-13-3-1-2-4-15(13)22-16/h1-11,22H,(H,21,23).
What are the key properties of 5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 381.23 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 46334471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).