N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide

C20H15N3O4 — CID 126395934

IUPACN-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3C#N)o2)c(O)c1
InChIInChI=1S/C20H15N3O4/c1-26-14-6-8-17(18(24)10-14)20(25)23-22-12-15-7-9-19(27-15)16-5-3-2-4-13(16)11-21/h2-10,12,24H,1H3,(H,23,25)/b22-12-
InChIKeyJCKALNRVQSLJRX-UUYOSTAYSA-N
MW361.36 g/mol
LogP3.30
Rot. Bonds5

About N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide

N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide (PubChem CID 126395934) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
PubChem CID126395934
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3C#N)o2)c(O)c1
InChIInChI=1S/C20H15N3O4/c1-26-14-6-8-17(18(24)10-14)20(25)23-22-12-15-7-9-19(27-15)16-5-3-2-4-13(16)11-21/h2-10,12,24H,1H3,(H,23,25)/b22-12-
InChIKeyJCKALNRVQSLJRX-UUYOSTAYSA-N
XLogP3.30
TPSA107.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126395548
N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397426
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126398281
N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 1280117
2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 126396561
N-[(Z)-benzylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396389
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 958480
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657677
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396339
3-[5-[[(2,4-dimethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3385327
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide (CID 126395934) is N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3C#N)o2)c(O)c1.
What is the InChIKey of N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
The InChIKey is JCKALNRVQSLJRX-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-26-14-6-8-17(18(24)10-14)20(25)23-22-12-15-7-9-19(27-15)16-5-3-2-4-13(16)11-21/h2-10,12,24H,1H3,(H,23,25)/b22-12-.
What are the key properties of N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide has a molecular weight of 361.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 126395934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).