2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide

C14H12BrN3O3S — CID 4795170

IUPAC2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)NNC(=O)c1cccs1
InChIInChI=1S/C14H12BrN3O3S/c15-10-5-2-1-4-9(10)13(20)16-8-12(19)17-18-14(21)11-6-3-7-22-11/h1-7H,8H2,(H,16,20)(H,17,19)(H,18,21)
InChIKeyKFXHWKGWFKERLF-UHFFFAOYSA-N
MW382.24 g/mol
LogP1.70
Rot. Bonds4

About 2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide

2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide (PubChem CID 4795170) has the molecular formula C14H12BrN3O3S and a molecular weight of 382.24 g/mol. Its IUPAC name is 2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
PubChem CID4795170
Molecular FormulaC14H12BrN3O3S
Molecular Weight382.24 g/mol
Exact Mass380.98
IUPAC Name2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)NNC(=O)c1cccs1
InChIInChI=1S/C14H12BrN3O3S/c15-10-5-2-1-4-9(10)13(20)16-8-12(19)17-18-14(21)11-6-3-7-22-11/h1-7H,8H2,(H,16,20)(H,17,19)(H,18,21)
InChIKeyKFXHWKGWFKERLF-UHFFFAOYSA-N
XLogP1.70
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Thiophene-2-carboxylic acid [2-(4-bromo-phenyl)-2-oxo-ethyl]-amide
CID 856376
4-Bromo-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 766481
2-Bromo-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 809174
N-(2-bromobenzyl)-2-(2-thienyl)acetamide
CID 1246426
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 4788028
N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide
CID 4795272
3-bromo-N-{2-oxo-2-[2-(2-thienylmethylene)hydrazino]ethyl}benzamide
CID 6895716
2-bromo-N-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]benzamide
CID 16298017
N-[1-(hydrazinocarbonyl)-2-(2-thienyl)vinyl]benzamide
CID 1678442
Cambridge id 6060023
CID 2266166
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 4789691
3-methyl-N-[4-methylsulfanyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 4792354

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide (CID 4795170) is 2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccccc1Br)NNC(=O)c1cccs1.
What is the InChIKey of 2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The InChIKey is KFXHWKGWFKERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3S/c15-10-5-2-1-4-9(10)13(20)16-8-12(19)17-18-14(21)11-6-3-7-22-11/h1-7H,8H2,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of 2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide has a molecular weight of 382.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 4795170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).