N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide

C20H16N4O2 — CID 155481757

IUPACN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2ccc(C#N)cc2C)ccc1N
InChIInChI=1S/C20H16N4O2/c1-12-8-13(10-21)2-4-16(12)20(25)24-15-3-5-18(22)17(9-15)19(23)14-6-7-26-11-14/h2-9,11,23H,22H2,1H3,(H,24,25)/b23-19+
InChIKeyBAWQYSDLUWJLAJ-FCDQGJHFSA-N
MW344.37 g/mol
LogP3.71
Rot. Bonds4

About N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide

N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide (PubChem CID 155481757) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
PubChem CID155481757
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2ccc(C#N)cc2C)ccc1N
InChIInChI=1S/C20H16N4O2/c1-12-8-13(10-21)2-4-16(12)20(25)24-15-3-5-18(22)17(9-15)19(23)14-6-7-26-11-14/h2-9,11,23H,22H2,1H3,(H,24,25)/b23-19+
InChIKeyBAWQYSDLUWJLAJ-FCDQGJHFSA-N
XLogP3.71
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide?
The IUPAC name of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide (CID 155481757) is N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide.
What is the SMILES notation for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide?
The canonical SMILES for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide is [H]/N=C(\c1ccoc1)c1cc(NC(=O)c2ccc(C#N)cc2C)ccc1N.
What is the InChIKey of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide?
The InChIKey is BAWQYSDLUWJLAJ-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12-8-13(10-21)2-4-16(12)20(25)24-15-3-5-18(22)17(9-15)19(23)14-6-7-26-11-14/h2-9,11,23H,22H2,1H3,(H,24,25)/b23-19+.
What are the key properties of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide?
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide has a molecular weight of 344.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide is sourced from PubChem (CID 155481757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).