4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide

C12H9Cl2N3O2 — CID 18106742

IUPAC4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)c[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2N3O2/c13-8-3-1-7(2-4-8)11(18)16-17-12(19)10-5-9(14)6-15-10/h1-6,15H,(H,16,18)(H,17,19)
InChIKeyRYFJKQBDDWPBQN-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.40
Rot. Bonds2

About 4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide

4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 18106742) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID18106742
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)c[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2N3O2/c13-8-3-1-7(2-4-8)11(18)16-17-12(19)10-5-9(14)6-15-10/h1-6,15H,(H,16,18)(H,17,19)
InChIKeyRYFJKQBDDWPBQN-UHFFFAOYSA-N
XLogP2.40
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 34967132
4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide
CID 75413422
N-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
CID 9256165
4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide
CID 31726060
4-chloro-N-[(4-chlorophenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 75967913
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
N-[1-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 55406031
3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741856
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
2-N',6-N'-bis(4-chlorobenzoyl)pyridine-2,6-dicarbohydrazide
CID 43063875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide (CID 18106742) is 4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)c1cc(Cl)c[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is RYFJKQBDDWPBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c13-8-3-1-7(2-4-8)11(18)16-17-12(19)10-5-9(14)6-15-10/h1-6,15H,(H,16,18)(H,17,19).
What are the key properties of 4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide?
4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 298.13 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 18106742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).