4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide

C15H15Br2N3O3 — CID 31598036

IUPAC4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCCOc1cccc(Br)c1)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C15H15Br2N3O3/c16-10-3-1-4-12(7-10)23-6-2-5-14(21)19-20-15(22)13-8-11(17)9-18-13/h1,3-4,7-9,18H,2,5-6H2,(H,19,21)(H,20,22)
InChIKeyPQGHIPDVWBDVFY-UHFFFAOYSA-N
MW445.11 g/mol
LogP3.16
Rot. Bonds6

About 4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide

4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 31598036) has the molecular formula C15H15Br2N3O3 and a molecular weight of 445.11 g/mol. Its IUPAC name is 4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID31598036
Molecular FormulaC15H15Br2N3O3
Molecular Weight445.11 g/mol
Exact Mass442.95
IUPAC Name4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCCOc1cccc(Br)c1)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C15H15Br2N3O3/c16-10-3-1-4-12(7-10)23-6-2-5-14(21)19-20-15(22)13-8-11(17)9-18-13/h1,3-4,7-9,18H,2,5-6H2,(H,19,21)(H,20,22)
InChIKeyPQGHIPDVWBDVFY-UHFFFAOYSA-N
XLogP3.16
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.11
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-[4-(3-methylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256254
N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide
CID 7969162
4-bromo-N'-[4-(4-tert-butylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 31421381
3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzamide
CID 55874192
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 33472385
N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55615537
4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256765
4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9256144
4-bromo-N'-[3-(2,3-dimethoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256838
4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
CID 9256579
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide (CID 31598036) is 4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide is O=C(CCCOc1cccc(Br)c1)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is PQGHIPDVWBDVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N3O3/c16-10-3-1-4-12(7-10)23-6-2-5-14(21)19-20-15(22)13-8-11(17)9-18-13/h1,3-4,7-9,18H,2,5-6H2,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 445.11 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 31598036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).