2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide

C19H15ClN2O2S — CID 75087531

IUPAC2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccs1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O2S/c20-15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)19(23)22-21-12-16-4-3-11-25-16/h1-12H,13H2,(H,22,23)
InChIKeyXDIJUDXSHWABSW-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.74
Rot. Bonds6

About 2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide

2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide (PubChem CID 75087531) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide
PubChem CID75087531
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccs1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O2S/c20-15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)19(23)22-21-12-16-4-3-11-25-16/h1-12H,13H2,(H,22,23)
InChIKeyXDIJUDXSHWABSW-UHFFFAOYSA-N
XLogP4.74
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.74
H-Bond Donors ≤ 51
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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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 42992148
2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 46498082
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398
2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4931437
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060610
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060148
2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 45054541
2-[(4-chlorophenyl)methoxy]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 4582846
2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 97413810
2-[(4-bromophenyl)methoxy]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 71960142
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide (CID 75087531) is 2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide is O=C(NN=Cc1cccs1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide?
The InChIKey is XDIJUDXSHWABSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)19(23)22-21-12-16-4-3-11-25-16/h1-12H,13H2,(H,22,23).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide?
2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide has a molecular weight of 370.86 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 75087531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).