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

C19H13FN4O2 — CID 155482453

IUPACN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2ccc(C#N)cc2F)ccc1N
InChIInChI=1S/C19H13FN4O2/c20-16-7-11(9-21)1-3-14(16)19(25)24-13-2-4-17(22)15(8-13)18(23)12-5-6-26-10-12/h1-8,10,23H,22H2,(H,24,25)/b23-18+
InChIKeyDWASUZROMCXXRL-PTGBLXJZSA-N
MW348.34 g/mol
LogP3.54
Rot. Bonds4

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

N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide (PubChem CID 155482453) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide
PubChem CID155482453
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC NameN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2ccc(C#N)cc2F)ccc1N
InChIInChI=1S/C19H13FN4O2/c20-16-7-11(9-21)1-3-14(16)19(25)24-13-2-4-17(22)15(8-13)18(23)12-5-6-26-10-12/h1-8,10,23H,22H2,(H,24,25)/b23-18+
InChIKeyDWASUZROMCXXRL-PTGBLXJZSA-N
XLogP3.54
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.54
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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Related Compounds

N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
CID 155481992
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-chloro-5-cyanopyridine-2-carboxamide
CID 155481986
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-ethynyl-1,2-thiazole-3-carboxamide
CID 155574901
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 155135077
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 155135058
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen
CID 155698826
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 155482677
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 167698553
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 155134676
N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482723

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide?
The IUPAC name of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide (CID 155482453) is N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide.
What is the SMILES notation for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide?
The canonical SMILES for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide is [H]/N=C(\c1ccoc1)c1cc(NC(=O)c2ccc(C#N)cc2F)ccc1N.
What is the InChIKey of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide?
The InChIKey is DWASUZROMCXXRL-PTGBLXJZSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-16-7-11(9-21)1-3-14(16)19(25)24-13-2-4-17(22)15(8-13)18(23)12-5-6-26-10-12/h1-8,10,23H,22H2,(H,24,25)/b23-18+.
What are the key properties of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide?
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide has a molecular weight of 348.34 g/mol, XLogP of 3.54, 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-fluorobenzamide is sourced from PubChem (CID 155482453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).