2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide

C14H11BrN2O2 — CID 106852686

IUPAC2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Br)c1ccc(C#N)cc1
InChIInChI=1S/C14H11BrN2O2/c1-9(11-4-2-10(8-16)3-5-11)17-14(18)12-6-7-19-13(12)15/h2-7,9H,1H3,(H,17,18)
InChIKeyCTQDTPLNNDBPDP-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.40
Rot. Bonds3

About 2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide

2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide (PubChem CID 106852686) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide
PubChem CID106852686
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Br)c1ccc(C#N)cc1
InChIInChI=1S/C14H11BrN2O2/c1-9(11-4-2-10(8-16)3-5-11)17-14(18)12-6-7-19-13(12)15/h2-7,9H,1H3,(H,17,18)
InChIKeyCTQDTPLNNDBPDP-UHFFFAOYSA-N
XLogP3.40
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide
CID 106852997
5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 55582791
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
2-bromo-N-[1-(4-cyanophenyl)ethyl]-5-fluorobenzamide
CID 60736786
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide
CID 47161738
5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide
CID 113221636
N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 47161800
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
CID 106832394
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide (CID 106852686) is 2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide is CC(NC(=O)c1ccoc1Br)c1ccc(C#N)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide?
The InChIKey is CTQDTPLNNDBPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-9(11-4-2-10(8-16)3-5-11)17-14(18)12-6-7-19-13(12)15/h2-7,9H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide?
2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 106852686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).