N-[(E)-benzylideneamino]-2-chlorobenzamide

C14H11ClN2O — CID 5333054

IUPACN-[(E)-benzylideneamino]-2-chlorobenzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H11ClN2O/c15-13-9-5-4-8-12(13)14(18)17-16-10-11-6-2-1-3-7-11/h1-10H,(H,17,18)/b16-10+
InChIKeyPIEWRITYFYVJPO-MHWRWJLKSA-N
MW258.71 g/mol
LogP3.10
Rot. Bonds3

About N-[(E)-benzylideneamino]-2-chlorobenzamide

N-[(E)-benzylideneamino]-2-chlorobenzamide (PubChem CID 5333054) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-chlorobenzamide
PubChem CID5333054
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC NameN-[(E)-benzylideneamino]-2-chlorobenzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H11ClN2O/c15-13-9-5-4-8-12(13)14(18)17-16-10-11-6-2-1-3-7-11/h1-10H,(H,17,18)/b16-10+
InChIKeyPIEWRITYFYVJPO-MHWRWJLKSA-N
XLogP3.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-benzylideneamino]-2-chlorobenzamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-chlorobenzamide (CID 5333054) is N-[(E)-benzylideneamino]-2-chlorobenzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-chlorobenzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-chlorobenzamide is O=C(N/N=C/c1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-[(E)-benzylideneamino]-2-chlorobenzamide?
The InChIKey is PIEWRITYFYVJPO-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-13-9-5-4-8-12(13)14(18)17-16-10-11-6-2-1-3-7-11/h1-10H,(H,17,18)/b16-10+.
What are the key properties of N-[(E)-benzylideneamino]-2-chlorobenzamide?
N-[(E)-benzylideneamino]-2-chlorobenzamide has a molecular weight of 258.71 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-chlorobenzamide is sourced from PubChem (CID 5333054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).