N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide

C12H8BrClN2OS — CID 715930

IUPACN-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
SMILESO=C(NN=Cc1ccc(Br)s1)c1ccccc1Cl
InChIInChI=1S/C12H8BrClN2OS/c13-11-6-5-8(18-11)7-15-16-12(17)9-3-1-2-4-10(9)14/h1-7H,(H,16,17)
InChIKeyPXQFXVWJAIZLNO-UHFFFAOYSA-N
MW343.63 g/mol
LogP3.93
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide

N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide (PubChem CID 715930) has the molecular formula C12H8BrClN2OS and a molecular weight of 343.63 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
PubChem CID715930
Molecular FormulaC12H8BrClN2OS
Molecular Weight343.63 g/mol
Exact Mass341.92
IUPAC NameN-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
SMILESO=C(NN=Cc1ccc(Br)s1)c1ccccc1Cl
InChIInChI=1S/C12H8BrClN2OS/c13-11-6-5-8(18-11)7-15-16-12(17)9-3-1-2-4-10(9)14/h1-7H,(H,16,17)
InChIKeyPXQFXVWJAIZLNO-UHFFFAOYSA-N
XLogP3.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 53.93
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-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 4192848
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5395064
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 5404552
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 6869053
2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide
CID 6877293
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
CID 5432164
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide
CID 6021448
N,N'-bis[(5-bromothiophen-2-yl)methylideneamino]hexanediamide
CID 5114030
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide (CID 715930) is N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide is O=C(NN=Cc1ccc(Br)s1)c1ccccc1Cl.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide?
The InChIKey is PXQFXVWJAIZLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2OS/c13-11-6-5-8(18-11)7-15-16-12(17)9-3-1-2-4-10(9)14/h1-7H,(H,16,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide?
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide has a molecular weight of 343.63 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide is sourced from PubChem (CID 715930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).