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

C16H12ClN3O2S — CID 3779549

IUPACN'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)c1ccccc1Cl
InChIInChI=1S/C16H12ClN3O2S/c17-12-6-2-1-5-11(12)15(21)18-19-16(22)14-13(7-10-23-14)20-8-3-4-9-20/h1-10H,(H,18,21)(H,19,22)
InChIKeyWHMBPFDJOZNMFI-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.27
Rot. Bonds3

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

N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (PubChem CID 3779549) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
PubChem CID3779549
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC NameN'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)c1ccccc1Cl
InChIInChI=1S/C16H12ClN3O2S/c17-12-6-2-1-5-11(12)15(21)18-19-16(22)14-13(7-10-23-14)20-8-3-4-9-20/h1-10H,(H,18,21)(H,19,22)
InChIKeyWHMBPFDJOZNMFI-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

N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
CID 1481227
N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
CID 2805215
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
1-phenyl-1-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
CID 20850944
cis-(1R,3S)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320257
N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314043
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314013
N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 64792811
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
CID 24623987
N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 37397786

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (CID 3779549) is N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is O=C(NNC(=O)c1sccc1-n1cccc1)c1ccccc1Cl.
What is the InChIKey of N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The InChIKey is WHMBPFDJOZNMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-12-6-2-1-5-11(12)15(21)18-19-16(22)14-13(7-10-23-14)20-8-3-4-9-20/h1-10H,(H,18,21)(H,19,22).
What are the key properties of N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
N'-(2-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'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 3779549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).