N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide

C16H12ClN3O2S — CID 3456946

IUPACN'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2S/c17-12-5-3-11(4-6-12)15(21)18-19-16(22)14-13(7-10-23-14)20-8-1-2-9-20/h1-10H,(H,18,21)(H,19,22)
InChIKeyMSZJCXPAGPQDNI-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.27
Rot. Bonds3

About N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide

N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (PubChem CID 3456946) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
PubChem CID3456946
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC NameN'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2S/c17-12-5-3-11(4-6-12)15(21)18-19-16(22)14-13(7-10-23-14)20-8-1-2-9-20/h1-10H,(H,18,21)(H,19,22)
InChIKeyMSZJCXPAGPQDNI-UHFFFAOYSA-N
XLogP3.27
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Chlorophenyl)-12-thia-3,4,8-triazatricyclo[7.3.0.02,6]dodeca-1,6,8,10-tetraen-5-one
CID 14809208
N-(4-methylphenyl)-2-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-1-hydrazinecarboxamide
CID 1481222
3-(1H-Pyrrol-1-yl)-2-thiophenecarboxylic acid 2-(4-fluorobenzoyl)hydrazide
CID 3811376
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 6292584
(Z)-4-chloro-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide
CID 6055296
4-(1H-pyrrol-1-yl)-N'-(2-thienylmethylene)benzohydrazide
CID 6875099
N'-[(3-methyl-2-thienyl)methylene]-4-(1H-pyrrol-1-yl)benzohydrazide
CID 6875100
N-(3-methylphenyl)-2-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-1-hydrazinecarboxamide
CID 1481228
N'-(4-chlorobenzoyl)-2-(1H-pyrrol-1-yl)benzenecarbohydrazide
CID 1481241
N-[2-(4-chlorophenyl)ethyl]-1-{[3-(1H-pyrrol-1-yl)thien-2-yl]carbonyl}piperidine-4-carboxamide
CID 3242022
N-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide
CID 3289820
N'-(3-chlorobenzoyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 3775493

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (CID 3456946) is N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is O=C(NNC(=O)c1sccc1-n1cccc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The InChIKey is MSZJCXPAGPQDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-12-5-3-11(4-6-12)15(21)18-19-16(22)14-13(7-10-23-14)20-8-1-2-9-20/h1-10H,(H,18,21)(H,19,22).
What are the key properties of N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide has a molecular weight of 345.81 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 3456946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).