N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide

C22H18FN3O3 — CID 25237422

IUPACN-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1cccc(O)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H18FN3O3/c1-14(25-26-22(29)17-5-3-7-20(27)13-17)16-4-2-6-19(12-16)24-21(28)15-8-10-18(23)11-9-15/h2-13,27H,1H3,(H,24,28)(H,26,29)/b25-14+
InChIKeyRCPMKGXFUHBLMH-AFUMVMLFSA-N
MW391.40 g/mol
LogP3.94
Rot. Bonds5

About N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide

N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide (PubChem CID 25237422) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide
PubChem CID25237422
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1cccc(O)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H18FN3O3/c1-14(25-26-22(29)17-5-3-7-20(27)13-17)16-4-2-6-19(12-16)24-21(28)15-8-10-18(23)11-9-15/h2-13,27H,1H3,(H,24,28)(H,26,29)/b25-14+
InChIKeyRCPMKGXFUHBLMH-AFUMVMLFSA-N
XLogP3.94
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.94
H-Bond Donors ≤ 53
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)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide (CID 25237422) is N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide is C/C(=N\NC(=O)c1cccc(O)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide?
The InChIKey is RCPMKGXFUHBLMH-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-14(25-26-22(29)17-5-3-7-20(27)13-17)16-4-2-6-19(12-16)24-21(28)15-8-10-18(23)11-9-15/h2-13,27H,1H3,(H,24,28)(H,26,29)/b25-14+.
What are the key properties of N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide?
N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide has a molecular weight of 391.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 25237422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).