5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide

C12H8BrClN2O2S — CID 4853087

IUPAC5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1cccc(Cl)c1
InChIInChI=1S/C12H8BrClN2O2S/c13-10-5-4-9(19-10)12(18)16-15-11(17)7-2-1-3-8(14)6-7/h1-6H,(H,15,17)(H,16,18)
InChIKeyPKTJWAVUJXGGOG-UHFFFAOYSA-N
MW359.63 g/mol
LogP3.24
Rot. Bonds2

About 5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide

5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide (PubChem CID 4853087) has the molecular formula C12H8BrClN2O2S and a molecular weight of 359.63 g/mol. Its IUPAC name is 5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide
PubChem CID4853087
Molecular FormulaC12H8BrClN2O2S
Molecular Weight359.63 g/mol
Exact Mass357.92
IUPAC Name5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1cccc(Cl)c1
InChIInChI=1S/C12H8BrClN2O2S/c13-10-5-4-9(19-10)12(18)16-15-11(17)7-2-1-3-8(14)6-7/h1-6H,(H,15,17)(H,16,18)
InChIKeyPKTJWAVUJXGGOG-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 766481
2-Bromo-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 809174
N'-[3-(2-chlorophenyl)acryloyl]-2-thiophenecarbohydrazide
CID 2210626
N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide
CID 4795272
3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 7918359
2-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 24982724
3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
CID 2712962
N'-[1-(5-bromo-2-thienyl)ethylidene]-4-chlorobenzohydrazide
CID 5435884
N'-[1-(5-bromo-2-thienyl)ethylidene]-3,4-dichlorobenzohydrazide
CID 6981965
N'-[1-(5-bromo-2-thienyl)propylidene]-2-chlorobenzohydrazide
CID 9563883
N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide
CID 4791214
3,4-Dichloro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793916

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide (CID 4853087) is 5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide is O=C(NNC(=O)c1ccc(Br)s1)c1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is PKTJWAVUJXGGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2S/c13-10-5-4-9(19-10)12(18)16-15-11(17)7-2-1-3-8(14)6-7/h1-6H,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide?
5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 359.63 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 4853087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).