N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide

C20H15ClN2O — CID 56695198

IUPACN-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide
SMILESO=C(Nc1ccc(/N=C/c2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C20H15ClN2O/c21-17-8-4-5-15(13-17)14-22-18-9-11-19(12-10-18)23-20(24)16-6-2-1-3-7-16/h1-14H,(H,23,24)/b22-14+
InChIKeyFTXUHZKHCDXFSD-HYARGMPZSA-N
MW334.81 g/mol
LogP5.34
Rot. Bonds4

About N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide

N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide (PubChem CID 56695198) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide
PubChem CID56695198
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC NameN-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide
SMILESO=C(Nc1ccc(/N=C/c2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C20H15ClN2O/c21-17-8-4-5-15(13-17)14-22-18-9-11-19(12-10-18)23-20(24)16-6-2-1-3-7-16/h1-14H,(H,23,24)/b22-14+
InChIKeyFTXUHZKHCDXFSD-HYARGMPZSA-N
XLogP5.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide
CID 2419562
N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376596
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
3-chloro-N-(4-isocyanatophenyl)benzamide
CID 169354497
3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide
CID 135810325
N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
CID 152756713
4-[(3-chlorophenyl)methylideneamino]-N-ethyl-N-phenylbenzamide
CID 171981127
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide?
The IUPAC name of N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide (CID 56695198) is N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide is O=C(Nc1ccc(/N=C/c2cccc(Cl)c2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide?
The InChIKey is FTXUHZKHCDXFSD-HYARGMPZSA-N. The full InChI is InChI=1S/C20H15ClN2O/c21-17-8-4-5-15(13-17)14-22-18-9-11-19(12-10-18)23-20(24)16-6-2-1-3-7-16/h1-14H,(H,23,24)/b22-14+.
What are the key properties of N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide?
N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide has a molecular weight of 334.81 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide is sourced from PubChem (CID 56695198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).