4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide

C16H18BrN3O4 — CID 51217733

IUPAC4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1OC
InChIInChI=1S/C16H18BrN3O4/c1-3-6-24-13-5-4-10(7-14(13)23-2)15(21)19-20-16(22)12-8-11(17)9-18-12/h4-5,7-9,18H,3,6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyHMWWUYFFMUUWDB-UHFFFAOYSA-N
MW396.24 g/mol
LogP2.65
Rot. Bonds6

About 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide

4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 51217733) has the molecular formula C16H18BrN3O4 and a molecular weight of 396.24 g/mol. Its IUPAC name is 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID51217733
Molecular FormulaC16H18BrN3O4
Molecular Weight396.24 g/mol
Exact Mass395.05
IUPAC Name4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1OC
InChIInChI=1S/C16H18BrN3O4/c1-3-6-24-13-5-4-10(7-14(13)23-2)15(21)19-20-16(22)12-8-11(17)9-18-12/h4-5,7-9,18H,3,6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyHMWWUYFFMUUWDB-UHFFFAOYSA-N
XLogP2.65
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 52.65
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'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
CID 55738000
4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 31597699
N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 39447654
4-bromo-N'-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 39641079
4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9255934
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
CID 56562247
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide (CID 51217733) is 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1OC.
What is the InChIKey of 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is HMWWUYFFMUUWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O4/c1-3-6-24-13-5-4-10(7-14(13)23-2)15(21)19-20-16(22)12-8-11(17)9-18-12/h4-5,7-9,18H,3,6H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 396.24 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 51217733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).