N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide

C13H10BrClN2OS — CID 5435884

IUPACN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide
SMILESC/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(Br)s1
InChIInChI=1S/C13H10BrClN2OS/c1-8(11-6-7-12(14)19-11)16-17-13(18)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,18)/b16-8+
InChIKeyFIIBEFFHKUUWKK-LZYBPNLTSA-N
MW357.66 g/mol
LogP4.32
Rot. Bonds3

About N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide

N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide (PubChem CID 5435884) has the molecular formula C13H10BrClN2OS and a molecular weight of 357.66 g/mol. Its IUPAC name is N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide
PubChem CID5435884
Molecular FormulaC13H10BrClN2OS
Molecular Weight357.66 g/mol
Exact Mass355.94
IUPAC NameN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide
SMILESC/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(Br)s1
InChIInChI=1S/C13H10BrClN2OS/c1-8(11-6-7-12(14)19-11)16-17-13(18)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,18)/b16-8+
InChIKeyFIIBEFFHKUUWKK-LZYBPNLTSA-N
XLogP4.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.66
LogP ≤ 54.32
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide?
The IUPAC name of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide (CID 5435884) is N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide.
What is the SMILES notation for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide?
The canonical SMILES for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide is C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(Br)s1.
What is the InChIKey of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide?
The InChIKey is FIIBEFFHKUUWKK-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10BrClN2OS/c1-8(11-6-7-12(14)19-11)16-17-13(18)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,18)/b16-8+.
What are the key properties of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide?
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide has a molecular weight of 357.66 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-chlorobenzamide is sourced from PubChem (CID 5435884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).