4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide

C22H19ClN2O — CID 171981127

IUPAC4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(/N=C/c2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C22H19ClN2O/c1-2-25(21-9-4-3-5-10-21)22(26)18-11-13-20(14-12-18)24-16-17-7-6-8-19(23)15-17/h3-16H,2H2,1H3/b24-16+
InChIKeyKDSQBPXVDGTJEB-LFVJCYFKSA-N
MW362.86 g/mol
LogP5.76
Rot. Bonds5

About 4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide

4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide (PubChem CID 171981127) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide
PubChem CID171981127
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(/N=C/c2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C22H19ClN2O/c1-2-25(21-9-4-3-5-10-21)22(26)18-11-13-20(14-12-18)24-16-17-7-6-8-19(23)15-17/h3-16H,2H2,1H3/b24-16+
InChIKeyKDSQBPXVDGTJEB-LFVJCYFKSA-N
XLogP5.76
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide (CID 171981127) is 4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(/N=C/c2cccc(Cl)c2)cc1)c1ccccc1.
What is the InChIKey of 4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide?
The InChIKey is KDSQBPXVDGTJEB-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-2-25(21-9-4-3-5-10-21)22(26)18-11-13-20(14-12-18)24-16-17-7-6-8-19(23)15-17/h3-16H,2H2,1H3/b24-16+.
What are the key properties of 4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide?
4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide has a molecular weight of 362.86 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 171981127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).