N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide

C15H15BrN4O3 — CID 31598614

IUPACN-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1
InChIInChI=1S/C15H15BrN4O3/c1-9(21)18-12-4-2-10(3-5-12)6-14(22)19-20-15(23)13-7-11(16)8-17-13/h2-5,7-8,17H,6H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyRUQNWUGTQRODBE-UHFFFAOYSA-N
MW379.21 g/mol
LogP1.74
Rot. Bonds4

About N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide

N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide (PubChem CID 31598614) has the molecular formula C15H15BrN4O3 and a molecular weight of 379.21 g/mol. Its IUPAC name is N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
PubChem CID31598614
Molecular FormulaC15H15BrN4O3
Molecular Weight379.21 g/mol
Exact Mass378.03
IUPAC NameN-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1
InChIInChI=1S/C15H15BrN4O3/c1-9(21)18-12-4-2-10(3-5-12)6-14(22)19-20-15(23)13-7-11(16)8-17-13/h2-5,7-8,17H,6H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyRUQNWUGTQRODBE-UHFFFAOYSA-N
XLogP1.74
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 28741876
N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 33472385
4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256765
4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide
CID 18121265
4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide
CID 31726060
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 55850060
N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55615537
4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9255934
4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43410595
4-bromo-N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 9255783
N-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
CID 9256165
4-bromo-N'-[4-(4-tert-butylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 31421381

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide (CID 31598614) is N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1.
What is the InChIKey of N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide?
The InChIKey is RUQNWUGTQRODBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O3/c1-9(21)18-12-4-2-10(3-5-12)6-14(22)19-20-15(23)13-7-11(16)8-17-13/h2-5,7-8,17H,6H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide?
N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide has a molecular weight of 379.21 g/mol, XLogP of 1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 31598614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).