4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide

C13H11ClN2OS — CID 5416541

IUPAC4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H11ClN2OS/c1-9-2-7-12(18-9)8-15-16-13(17)10-3-5-11(14)6-4-10/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyMOJUXAIVQZVDIL-NVNXTCNLSA-N
MW278.76 g/mol
LogP3.47
Rot. Bonds3

About 4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide

4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 5416541) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID5416541
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H11ClN2OS/c1-9-2-7-12(18-9)8-15-16-13(17)10-3-5-11(14)6-4-10/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyMOJUXAIVQZVDIL-NVNXTCNLSA-N
XLogP3.47
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 ≤ 53.47
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

4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 910371
3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 126058288
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4-sulfamoylbenzamide
CID 45109579
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 749495
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
(2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide
CID 1229715
4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9060165
4-tert-butyl-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 3529233
3-bromo-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681118
N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932924

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 5416541) is 4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is MOJUXAIVQZVDIL-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c1-9-2-7-12(18-9)8-15-16-13(17)10-3-5-11(14)6-4-10/h2-8H,1H3,(H,16,17)/b15-8-.
What are the key properties of 4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 278.76 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5416541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).