2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide

C10H9BrN2O2 — CID 106852140

IUPAC2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide
SMILESN#CC(NC(=O)c1ccoc1Br)C1CC1
InChIInChI=1S/C10H9BrN2O2/c11-9-7(3-4-15-9)10(14)13-8(5-12)6-1-2-6/h3-4,6,8H,1-2H2,(H,13,14)
InChIKeyPYKRFYFVTAAWKZ-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.07
Rot. Bonds3

About 2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide

2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide (PubChem CID 106852140) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide
PubChem CID106852140
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide
SMILESN#CC(NC(=O)c1ccoc1Br)C1CC1
InChIInChI=1S/C10H9BrN2O2/c11-9-7(3-4-15-9)10(14)13-8(5-12)6-1-2-6/h3-4,6,8H,1-2H2,(H,13,14)
InChIKeyPYKRFYFVTAAWKZ-UHFFFAOYSA-N
XLogP2.07
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide
CID 63823444
6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide
CID 115283322
2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
CID 61124389
2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106854282
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791
N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
CID 63820678
2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide
CID 63821612
2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide
CID 106852686
5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide
CID 113233627
2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
CID 63822496

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide (CID 106852140) is 2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide is N#CC(NC(=O)c1ccoc1Br)C1CC1.
What is the InChIKey of 2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide?
The InChIKey is PYKRFYFVTAAWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-9-7(3-4-15-9)10(14)13-8(5-12)6-1-2-6/h3-4,6,8H,1-2H2,(H,13,14).
What are the key properties of 2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide?
2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide has a molecular weight of 269.10 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106852140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).