4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

C19H15ClN2O2S — CID 42992148

IUPAC4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccs1)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O2S/c20-16-7-9-17(10-8-16)24-13-14-3-5-15(6-4-14)19(23)22-21-12-18-2-1-11-25-18/h1-12H,13H2,(H,22,23)/b21-12+
InChIKeyMPBLYVXIZPLGPY-CIAFOILYSA-N
MW370.86 g/mol
LogP4.74
Rot. Bonds6

About 4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 42992148) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID42992148
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccs1)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O2S/c20-16-7-9-17(10-8-16)24-13-14-3-5-15(6-4-14)19(23)22-21-12-18-2-1-11-25-18/h1-12H,13H2,(H,22,23)/b21-12+
InChIKeyMPBLYVXIZPLGPY-CIAFOILYSA-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

2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide
CID 75087531
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
4-[(4-chlorophenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 9408946
4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
CID 75087446
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 6163914
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6321753
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 6307220

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (CID 42992148) is 4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1cccs1)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is MPBLYVXIZPLGPY-CIAFOILYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-16-7-9-17(10-8-16)24-13-14-3-5-15(6-4-14)19(23)22-21-12-18-2-1-11-25-18/h1-12H,13H2,(H,22,23)/b21-12+.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
4-[(4-chlorophenoxy)methyl]-N-[(E)-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 4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 42992148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).