4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide

C14H14BrN3O2 — CID 9255934

IUPAC4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1C
InChIInChI=1S/C14H14BrN3O2/c1-8-3-4-10(5-9(8)2)13(19)17-18-14(20)12-6-11(15)7-16-12/h3-7,16H,1-2H3,(H,17,19)(H,18,20)
InChIKeyLDKCANHGEPOUFJ-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.47
Rot. Bonds2

About 4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide

4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 9255934) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID9255934
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1C
InChIInChI=1S/C14H14BrN3O2/c1-8-3-4-10(5-9(8)2)13(19)17-18-14(20)12-6-11(15)7-16-12/h3-7,16H,1-2H3,(H,17,19)(H,18,20)
InChIKeyLDKCANHGEPOUFJ-UHFFFAOYSA-N
XLogP2.47
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.47
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-bromo-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 8982702
4-bromo-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 34280698
4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
CID 55738000
4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 51217733
4-bromo-N'-(2,3-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31421337
4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 31421387
N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 39447654
5-bromo-N'-(4-bromo-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
CID 9255864
4-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 134029250
4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N-tert-butylbenzenesulfonamide
CID 31599101
4-bromo-N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 9255783
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide (CID 9255934) is 4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1C.
What is the InChIKey of 4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is LDKCANHGEPOUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-8-3-4-10(5-9(8)2)13(19)17-18-14(20)12-6-11(15)7-16-12/h3-7,16H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 336.19 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 9255934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).