5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide

C14H11ClN2O2 — CID 113221636

IUPAC5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)o1)c1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN2O2/c1-9(11-4-2-10(8-16)3-5-11)17-14(18)12-6-7-13(15)19-12/h2-7,9H,1H3,(H,17,18)
InChIKeyWMMURXFMSANLIE-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.30
Rot. Bonds3

About 5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide

5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide (PubChem CID 113221636) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide
PubChem CID113221636
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)o1)c1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN2O2/c1-9(11-4-2-10(8-16)3-5-11)17-14(18)12-6-7-13(15)19-12/h2-7,9H,1H3,(H,17,18)
InChIKeyWMMURXFMSANLIE-UHFFFAOYSA-N
XLogP3.30
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 113221625
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
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide
CID 106852686
6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide
CID 106551023
2-bromo-N-[1-(4-cyanophenyl)ethyl]acetamide
CID 63680255
2-amino-3-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 115540145
2-bromo-N-[1-(4-cyanophenyl)ethyl]-5-fluorobenzamide
CID 60736786
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide (CID 113221636) is 5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide is CC(NC(=O)c1ccc(Cl)o1)c1ccc(C#N)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide?
The InChIKey is WMMURXFMSANLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-9(11-4-2-10(8-16)3-5-11)17-14(18)12-6-7-13(15)19-12/h2-7,9H,1H3,(H,17,18).
What are the key properties of 5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide?
5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide has a molecular weight of 274.71 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113221636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).