3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide

C18H14ClN3O2 — CID 27605122

IUPAC3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Cl)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H14ClN3O2/c19-15-5-3-4-14(12-15)18(24)21-20-17(23)13-6-8-16(9-7-13)22-10-1-2-11-22/h1-12H,(H,20,23)(H,21,24)
InChIKeyNMPRRFFHLKMFBX-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.21
Rot. Bonds3

About 3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide

3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide (PubChem CID 27605122) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide
PubChem CID27605122
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Cl)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H14ClN3O2/c19-15-5-3-4-14(12-15)18(24)21-20-17(23)13-6-8-16(9-7-13)22-10-1-2-11-22/h1-12H,(H,20,23)(H,21,24)
InChIKeyNMPRRFFHLKMFBX-UHFFFAOYSA-N
XLogP3.21
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.21
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

3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
CID 17468530
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
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N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
CID 24536054
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
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3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11349148
3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882082
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
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N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
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N'-tert-butyl-3-chlorobenzohydrazide
CID 15617772

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide?
The IUPAC name of 3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide (CID 27605122) is 3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide is O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide?
The InChIKey is NMPRRFFHLKMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-15-5-3-4-14(12-15)18(24)21-20-17(23)13-6-8-16(9-7-13)22-10-1-2-11-22/h1-12H,(H,20,23)(H,21,24).
What are the key properties of 3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide?
3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide has a molecular weight of 339.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide is sourced from PubChem (CID 27605122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).