N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide

C15H14N2O2 — CID 112726762

IUPACN-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(CC#N)cc2)o1
InChIInChI=1S/C15H14N2O2/c1-2-13-7-8-14(19-13)15(18)17-12-5-3-11(4-6-12)9-10-16/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyQLBDQOVWWNXCSA-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.16
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide

N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide (PubChem CID 112726762) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
PubChem CID112726762
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(CC#N)cc2)o1
InChIInChI=1S/C15H14N2O2/c1-2-13-7-8-14(19-13)15(18)17-12-5-3-11(4-6-12)9-10-16/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyQLBDQOVWWNXCSA-UHFFFAOYSA-N
XLogP3.16
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide
CID 106910472
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide
CID 55899603
5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide
CID 78981155
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27163463
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
N-[4-(cyanomethyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026221
N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide
CID 78989486
N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide
CID 112731234
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide (CID 112726762) is N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(CC#N)cc2)o1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide?
The InChIKey is QLBDQOVWWNXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-13-7-8-14(19-13)15(18)17-12-5-3-11(4-6-12)9-10-16/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide?
N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 112726762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).