3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide

C19H14N2O2 — CID 119103306

IUPAC3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2ccc(-c3ccoc3)cc2)c1
InChIInChI=1S/C19H14N2O2/c20-11-15-2-1-3-17(10-15)19(22)21-12-14-4-6-16(7-5-14)18-8-9-23-13-18/h1-10,13H,12H2,(H,21,22)
InChIKeyNATZKUMKAYEMOS-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.75
Rot. Bonds4

About 3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide

3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide (PubChem CID 119103306) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
PubChem CID119103306
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2ccc(-c3ccoc3)cc2)c1
InChIInChI=1S/C19H14N2O2/c20-11-15-2-1-3-17(10-15)19(22)21-12-14-4-6-16(7-5-14)18-8-9-23-13-18/h1-10,13H,12H2,(H,21,22)
InChIKeyNATZKUMKAYEMOS-UHFFFAOYSA-N
XLogP3.75
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminophenyl)methyl]-3-cyanobenzamide
CID 60893168
3-cyano-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
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3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
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methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
CID 119103319
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
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3-cyano-N-prop-2-enylbenzamide
CID 24701030
3-cyano-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783633
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
3-cyano-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzamide
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3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?
The IUPAC name of 3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide (CID 119103306) is 3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide is N#Cc1cccc(C(=O)NCc2ccc(-c3ccoc3)cc2)c1.
What is the InChIKey of 3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?
The InChIKey is NATZKUMKAYEMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c20-11-15-2-1-3-17(10-15)19(22)21-12-14-4-6-16(7-5-14)18-8-9-23-13-18/h1-10,13H,12H2,(H,21,22).
What are the key properties of 3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?
3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide has a molecular weight of 302.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 119103306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).