2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide

C13H11ClN2OS — CID 5333978

IUPAC2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C13H11ClN2OS/c1-9(12-7-4-8-18-12)15-16-13(17)10-5-2-3-6-11(10)14/h2-8H,1H3,(H,16,17)/b15-9+
InChIKeyDRZNGBWMJWFFDA-OQLLNIDSSA-N
MW278.76 g/mol
LogP3.56
Rot. Bonds3

About 2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide

2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide (PubChem CID 5333978) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
PubChem CID5333978
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C13H11ClN2OS/c1-9(12-7-4-8-18-12)15-16-13(17)10-5-2-3-6-11(10)14/h2-8H,1H3,(H,16,17)/b15-9+
InChIKeyDRZNGBWMJWFFDA-OQLLNIDSSA-N
XLogP3.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5090031
N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide
CID 19660564
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
CID 5161810
2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 3997107
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide (CID 5333978) is 2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide?
The InChIKey is DRZNGBWMJWFFDA-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c1-9(12-7-4-8-18-12)15-16-13(17)10-5-2-3-6-11(10)14/h2-8H,1H3,(H,16,17)/b15-9+.
What are the key properties of 2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide?
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide has a molecular weight of 278.76 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide is sourced from PubChem (CID 5333978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).