N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide

C19H18N4O2 — CID 91260047

IUPACN-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCC(N)=N/N=C(/C)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H18N4O2/c1-12(22-23-13(2)20)14-7-9-16(10-8-14)21-19(24)18-11-15-5-3-4-6-17(15)25-18/h3-11H,1-2H3,(H2,20,23)(H,21,24)/b22-12-
InChIKeyXZGHFORYLNRSNV-UUYOSTAYSA-N
MW334.38 g/mol
LogP3.79
Rot. Bonds4

About N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 91260047) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID91260047
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCC(N)=N/N=C(/C)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H18N4O2/c1-12(22-23-13(2)20)14-7-9-16(10-8-14)21-19(24)18-11-15-5-3-4-6-17(15)25-18/h3-11H,1-2H3,(H2,20,23)(H,21,24)/b22-12-
InChIKeyXZGHFORYLNRSNV-UUYOSTAYSA-N
XLogP3.79
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide
CID 90854337
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571
N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776431
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22775944
N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1016193
N-[4-(1-benzofuran-2-carbonyl)phenyl]-2-methoxybenzamide
CID 42571061
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 3718880
N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24708217
2-[(4-fluorosulfonyloxyphenyl)carbamoyl]-1-benzofuran
CID 146097133

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide (CID 91260047) is N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide is CC(N)=N/N=C(/C)c1ccc(NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is XZGHFORYLNRSNV-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(22-23-13(2)20)14-7-9-16(10-8-14)21-19(24)18-11-15-5-3-4-6-17(15)25-18/h3-11H,1-2H3,(H2,20,23)(H,21,24)/b22-12-.
What are the key properties of N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91260047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).