(1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide

C19H16N6O3 — CID 172978386

IUPAC(1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1
InChIInChI=1S/C19H16N6O3/c1-27-16-9-12(24-25-14(10-20)18(21)22)6-7-13(16)23-19(26)17-8-11-4-2-3-5-15(11)28-17/h2-9,24H,1H3,(H3,21,22)(H,23,26)/b25-14+
InChIKeyJZHYNLOBANGIDC-AFUMVMLFSA-N
MW376.38 g/mol
LogP2.92
Rot. Bonds6

About (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide (PubChem CID 172978386) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide
PubChem CID172978386
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name(1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1
InChIInChI=1S/C19H16N6O3/c1-27-16-9-12(24-25-14(10-20)18(21)22)6-7-13(16)23-19(26)17-8-11-4-2-3-5-15(11)28-17/h2-9,24H,1H3,(H3,21,22)(H,23,26)/b25-14+
InChIKeyJZHYNLOBANGIDC-AFUMVMLFSA-N
XLogP2.92
TPSA149.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide with MolForge

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Related Compounds

N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016176
N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
5-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-methoxybenzoic acid
CID 172976196
(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)carbamoyl]anilino]ethanimidoyl cyanide
CID 172976313
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1256453
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[2-methoxy-4-[(3-methoxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 1337055
(1Z)-2-amino-N-(3-ethenyl-4-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172979644
N-[4-[(2-iodobenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 3551770
N-[2-methoxy-4-[(2-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3861071

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide (CID 172978386) is (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1.
What is the InChIKey of (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide?
The InChIKey is JZHYNLOBANGIDC-AFUMVMLFSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-27-16-9-12(24-25-14(10-20)18(21)22)6-7-13(16)23-19(26)17-8-11-4-2-3-5-15(11)28-17/h2-9,24H,1H3,(H3,21,22)(H,23,26)/b25-14+.
What are the key properties of (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide has a molecular weight of 376.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyanilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172978386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).