N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide

C19H14ClFN2O3 — CID 7368777

IUPACN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide
SMILESCOc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1Cl
InChIInChI=1S/C19H14ClFN2O3/c1-25-18-8-4-13(10-16(18)20)17-9-7-15(26-17)11-22-23-19(24)12-2-5-14(21)6-3-12/h2-11H,1H3,(H,23,24)/b22-11+
InChIKeyDNBPJLKFZZUXQI-SSDVNMTOSA-N
MW372.78 g/mol
LogP4.51
Rot. Bonds5

About N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide

N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide (PubChem CID 7368777) has the molecular formula C19H14ClFN2O3 and a molecular weight of 372.78 g/mol. Its IUPAC name is N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide
PubChem CID7368777
Molecular FormulaC19H14ClFN2O3
Molecular Weight372.78 g/mol
Exact Mass372.07
IUPAC NameN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide
SMILESCOc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1Cl
InChIInChI=1S/C19H14ClFN2O3/c1-25-18-8-4-13(10-16(18)20)17-9-7-15(26-17)11-22-23-19(24)12-2-5-14(21)6-3-12/h2-11H,1H3,(H,23,24)/b22-11+
InChIKeyDNBPJLKFZZUXQI-SSDVNMTOSA-N
XLogP4.51
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide (CID 7368777) is N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide is COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1Cl.
What is the InChIKey of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide?
The InChIKey is DNBPJLKFZZUXQI-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14ClFN2O3/c1-25-18-8-4-13(10-16(18)20)17-9-7-15(26-17)11-22-23-19(24)12-2-5-14(21)6-3-12/h2-11H,1H3,(H,23,24)/b22-11+.
What are the key properties of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide?
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide has a molecular weight of 372.78 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 7368777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).