N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide

C12H8Cl2N2O2S — CID 793916

IUPACN'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O2S/c13-8-4-3-7(6-9(8)14)11(17)15-16-12(18)10-2-1-5-19-10/h1-6H,(H,15,17)(H,16,18)
InChIKeyCRMABLWTACFMPY-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.13
Rot. Bonds2

About N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide

N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide (PubChem CID 793916) has the molecular formula C12H8Cl2N2O2S and a molecular weight of 315.18 g/mol. Its IUPAC name is N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide
PubChem CID793916
Molecular FormulaC12H8Cl2N2O2S
Molecular Weight315.18 g/mol
Exact Mass313.97
IUPAC NameN'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O2S/c13-8-4-3-7(6-9(8)14)11(17)15-16-12(18)10-2-1-5-19-10/h1-6H,(H,15,17)(H,16,18)
InChIKeyCRMABLWTACFMPY-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.13
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

N'-benzoylthiophene-2-carbohydrazide
CID 790437
3-[(3,4-Dichlorobenzyl)sulfanyl]-N-(Methylsulfonyl)thiophene-2-Carboxamide
CID 54751676
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-[3-(2-chlorophenyl)acryloyl]-2-thiophenecarbohydrazide
CID 2210626
8-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbohydrazide
CID 2739614
3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 7918359
2-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 24982724
3,4-dichloro-N-(2-thiophen-2-ylethyl)benzamide
CID 1511025
1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 1485117
3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
CID 2712962
3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarbohydrazide
CID 2767982
4-chloro-N-[1-(2-thienyl)ethylideneamino]benzamide
CID 5829177

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide (CID 793916) is N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide is O=C(NNC(=O)c1cccs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is CRMABLWTACFMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2S/c13-8-4-3-7(6-9(8)14)11(17)15-16-12(18)10-2-1-5-19-10/h1-6H,(H,15,17)(H,16,18).
What are the key properties of N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide?
N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 315.18 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 793916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).