N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide

C21H16ClN3O3 — CID 6907129

IUPACN-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(O)cc1
InChIInChI=1S/C21H16ClN3O3/c22-17-8-4-15(5-9-17)20(27)24-18-3-1-2-14(12-18)13-23-25-21(28)16-6-10-19(26)11-7-16/h1-13,26H,(H,24,27)(H,25,28)/b23-13+
InChIKeyAGJQYPKAVVIMAD-YDZHTSKRSA-N
MW393.83 g/mol
LogP4.06
Rot. Bonds5

About N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide

N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 6907129) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
PubChem CID6907129
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC NameN-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(O)cc1
InChIInChI=1S/C21H16ClN3O3/c22-17-8-4-15(5-9-17)20(27)24-18-3-1-2-14(12-18)13-23-25-21(28)16-6-10-19(26)11-7-16/h1-13,26H,(H,24,27)(H,25,28)/b23-13+
InChIKeyAGJQYPKAVVIMAD-YDZHTSKRSA-N
XLogP4.06
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.06
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)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide (CID 6907129) is N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide is O=C(N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is AGJQYPKAVVIMAD-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c22-17-8-4-15(5-9-17)20(27)24-18-3-1-2-14(12-18)13-23-25-21(28)16-6-10-19(26)11-7-16/h1-13,26H,(H,24,27)(H,25,28)/b23-13+.
What are the key properties of N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 393.83 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 6907129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).