N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide

C14H12N2O2 — CID 114820614

IUPACN-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(C#N)c2)co1
InChIInChI=1S/C14H12N2O2/c1-10-5-13(9-18-10)14(17)16-8-12-4-2-3-11(6-12)7-15/h2-6,9H,8H2,1H3,(H,16,17)
InChIKeyAEKCSAMNENHUDS-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.39
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide

N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide (PubChem CID 114820614) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
PubChem CID114820614
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(C#N)c2)co1
InChIInChI=1S/C14H12N2O2/c1-10-5-13(9-18-10)14(17)16-8-12-4-2-3-11(6-12)7-15/h2-6,9H,8H2,1H3,(H,16,17)
InChIKeyAEKCSAMNENHUDS-UHFFFAOYSA-N
XLogP2.39
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103951763
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
3-amino-N-[(3-cyanophenyl)methyl]-5-fluoro-4-methylbenzamide
CID 61102742
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
2-bromo-N-[(3-cyanophenyl)methyl]-3-methylbenzamide
CID 103853121
2-cyano-N-[(3-cyanophenyl)methyl]-2-methylpropanamide
CID 61059964
N-[[4-(bromomethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
CID 107233651
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide (CID 114820614) is N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCc2cccc(C#N)c2)co1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide?
The InChIKey is AEKCSAMNENHUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10-5-13(9-18-10)14(17)16-8-12-4-2-3-11(6-12)7-15/h2-6,9H,8H2,1H3,(H,16,17).
What are the key properties of N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide?
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114820614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).