3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide

C14H12BrNO2 — CID 75377332

IUPAC3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1occc1Br
InChIInChI=1S/C14H12BrNO2/c15-11-6-9-18-12(11)13(17)16-14(7-8-14)10-4-2-1-3-5-10/h1-6,9H,7-8H2,(H,16,17)
InChIKeyOSIWEUIQHZUKEG-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.46
Rot. Bonds3

About 3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide

3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide (PubChem CID 75377332) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide
PubChem CID75377332
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1occc1Br
InChIInChI=1S/C14H12BrNO2/c15-11-6-9-18-12(11)13(17)16-14(7-8-14)10-4-2-1-3-5-10/h1-6,9H,7-8H2,(H,16,17)
InChIKeyOSIWEUIQHZUKEG-UHFFFAOYSA-N
XLogP3.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide (CID 75377332) is 3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide is O=C(NC1(c2ccccc2)CC1)c1occc1Br.
What is the InChIKey of 3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide?
The InChIKey is OSIWEUIQHZUKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-11-6-9-18-12(11)13(17)16-14(7-8-14)10-4-2-1-3-5-10/h1-6,9H,7-8H2,(H,16,17).
What are the key properties of 3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide?
3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide is sourced from PubChem (CID 75377332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).