4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide

C19H16BrN3O3 — CID 9256346

IUPAC4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H16BrN3O3/c20-15-10-17(21-11-15)19(25)23-22-18(24)14-6-8-16(9-7-14)26-12-13-4-2-1-3-5-13/h1-11,21H,12H2,(H,22,24)(H,23,25)
InChIKeyWAWNABMMKWJDMS-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.43
Rot. Bonds5

About 4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide

4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 9256346) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is 4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID9256346
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H16BrN3O3/c20-15-10-17(21-11-15)19(25)23-22-18(24)14-6-8-16(9-7-14)26-12-13-4-2-1-3-5-13/h1-11,21H,12H2,(H,22,24)(H,23,25)
InChIKeyWAWNABMMKWJDMS-UHFFFAOYSA-N
XLogP3.43
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 33472385
N-methyl-4-phenylmethoxybenzamide
CID 2996745
4-bromo-N'-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 39641079
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
4-bromo-N'-[4-(4-tert-butylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 31421381
1-methyl-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 146584158
(E)-4-oxo-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid
CID 6234104
N'-(2,2-diphenylacetyl)-4-phenylmethoxybenzohydrazide
CID 4933138
4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
CID 9256579
4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9255934
N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 39447654

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide (CID 9256346) is 4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is WAWNABMMKWJDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c20-15-10-17(21-11-15)19(25)23-22-18(24)14-6-8-16(9-7-14)26-12-13-4-2-1-3-5-13/h1-11,21H,12H2,(H,22,24)(H,23,25).
What are the key properties of 4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 414.26 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 9256346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).