N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide

C20H14ClN3O4 — CID 4207116

IUPACN-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide
SMILESO=C(Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1)c1ccccc1
InChIInChI=1S/C20H14ClN3O4/c21-15-9-14(19(25)18(10-15)24(27)28)12-22-16-7-4-8-17(11-16)23-20(26)13-5-2-1-3-6-13/h1-12,25H,(H,23,26)/b22-12+
InChIKeyPJVDNXYZMPIBSW-WSDLNYQXSA-N
MW395.80 g/mol
LogP4.96
Rot. Bonds5

About N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide

N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide (PubChem CID 4207116) has the molecular formula C20H14ClN3O4 and a molecular weight of 395.80 g/mol. Its IUPAC name is N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide
PubChem CID4207116
Molecular FormulaC20H14ClN3O4
Molecular Weight395.80 g/mol
Exact Mass395.07
IUPAC NameN-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide
SMILESO=C(Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1)c1ccccc1
InChIInChI=1S/C20H14ClN3O4/c21-15-9-14(19(25)18(10-15)24(27)28)12-22-16-7-4-8-17(11-16)23-20(26)13-5-2-1-3-6-13/h1-12,25H,(H,23,26)/b22-12+
InChIKeyPJVDNXYZMPIBSW-WSDLNYQXSA-N
XLogP4.96
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide?
The IUPAC name of N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide (CID 4207116) is N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide.
What is the SMILES notation for N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide?
The canonical SMILES for N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide is O=C(Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1)c1ccccc1.
What is the InChIKey of N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide?
The InChIKey is PJVDNXYZMPIBSW-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H14ClN3O4/c21-15-9-14(19(25)18(10-15)24(27)28)12-22-16-7-4-8-17(11-16)23-20(26)13-5-2-1-3-6-13/h1-12,25H,(H,23,26)/b22-12+.
What are the key properties of N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide?
N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide has a molecular weight of 395.80 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]benzamide is sourced from PubChem (CID 4207116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).