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

C14H14BrN3O4 — CID 17421548

IUPAC4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c(OC)c1
InChIInChI=1S/C14H14BrN3O4/c1-21-9-3-4-10(12(6-9)22-2)13(19)17-18-14(20)11-5-8(15)7-16-11/h3-7,16H,1-2H3,(H,17,19)(H,18,20)
InChIKeyZPVCYRZYGCFMCA-UHFFFAOYSA-N
MW368.19 g/mol
LogP1.87
Rot. Bonds4

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

4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 17421548) has the molecular formula C14H14BrN3O4 and a molecular weight of 368.19 g/mol. Its IUPAC name is 4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID17421548
Molecular FormulaC14H14BrN3O4
Molecular Weight368.19 g/mol
Exact Mass367.02
IUPAC Name4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c(OC)c1
InChIInChI=1S/C14H14BrN3O4/c1-21-9-3-4-10(12(6-9)22-2)13(19)17-18-14(20)11-5-8(15)7-16-11/h3-7,16H,1-2H3,(H,17,19)(H,18,20)
InChIKeyZPVCYRZYGCFMCA-UHFFFAOYSA-N
XLogP1.87
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 51.87
H-Bond Donors ≤ 53
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-bromo-N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31116513
4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823855
4-bromo-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 34280698
N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide
CID 46556846
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888
N'-(4-tert-butylbenzoyl)-2,4-dimethoxybenzohydrazide
CID 7980035
4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
CID 55738000
4-bromo-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 135846609
4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 31597699
4-bromo-N'-(2,3-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31421337
[(4-bromo-2-methoxybenzoyl)amino]urea
CID 115370230
4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9255934

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide (CID 17421548) is 4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c(OC)c1.
What is the InChIKey of 4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is ZPVCYRZYGCFMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O4/c1-21-9-3-4-10(12(6-9)22-2)13(19)17-18-14(20)11-5-8(15)7-16-11/h3-7,16H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 368.19 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 17421548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).