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

C17H14BrN3O2 — CID 9256579

IUPAC4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C17H14BrN3O2/c18-14-9-15(19-10-14)17(23)21-20-16(22)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9-10,19H,8H2,(H,20,22)(H,21,23)
InChIKeyDCBYAEOCDJONRU-UHFFFAOYSA-N
MW372.22 g/mol
LogP2.93
Rot. Bonds3

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

4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 9256579) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
PubChem CID9256579
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C17H14BrN3O2/c18-14-9-15(19-10-14)17(23)21-20-16(22)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9-10,19H,8H2,(H,20,22)(H,21,23)
InChIKeyDCBYAEOCDJONRU-UHFFFAOYSA-N
XLogP2.93
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 52.93
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

N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 33472385
N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 31598614
4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823817
4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256765
4-bromo-N'-[2-(4-fluorophenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 9256313
4-bromo-N'-[2-(2-chlorophenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 31421529
4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9256346
4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide
CID 18121265
4-bromo-N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9256039
4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 31598036
4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 31949170
3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzamide
CID 55874192

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide (CID 9256579) is 4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide is O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is DCBYAEOCDJONRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c18-14-9-15(19-10-14)17(23)21-20-16(22)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9-10,19H,8H2,(H,20,22)(H,21,23).
What are the key properties of 4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 372.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 9256579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).