N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide

C16H17BrN4O3 — CID 33472385

IUPACN-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C16H17BrN4O3/c17-12-9-13(19-10-12)16(24)21-20-14(22)6-7-18-15(23)8-11-4-2-1-3-5-11/h1-5,9-10,19H,6-8H2,(H,18,23)(H,20,22)(H,21,24)
InChIKeyFTKKRXWHABQZNI-UHFFFAOYSA-N
MW393.24 g/mol
LogP1.29
Rot. Bonds6

About N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide

N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide (PubChem CID 33472385) has the molecular formula C16H17BrN4O3 and a molecular weight of 393.24 g/mol. Its IUPAC name is N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
PubChem CID33472385
Molecular FormulaC16H17BrN4O3
Molecular Weight393.24 g/mol
Exact Mass392.05
IUPAC NameN-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C16H17BrN4O3/c17-12-9-13(19-10-12)16(24)21-20-14(22)6-7-18-15(23)8-11-4-2-1-3-5-11/h1-5,9-10,19H,6-8H2,(H,18,23)(H,20,22)(H,21,24)
InChIKeyFTKKRXWHABQZNI-UHFFFAOYSA-N
XLogP1.29
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 51.29
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

4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
CID 9256579
4-bromo-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 32979369
4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256765
N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 31598614
4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide
CID 24637598
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9256346
tert-butyl N-[4-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-4-oxobutyl]carbamate
CID 9256746
4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 31949170
4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 31598036
2-[2-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81318040
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 30043506

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide?
The IUPAC name of N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide (CID 33472385) is N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCC(=O)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide?
The InChIKey is FTKKRXWHABQZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3/c17-12-9-13(19-10-12)16(24)21-20-14(22)6-7-18-15(23)8-11-4-2-1-3-5-11/h1-5,9-10,19H,6-8H2,(H,18,23)(H,20,22)(H,21,24).
What are the key properties of N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide?
N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide has a molecular weight of 393.24 g/mol, XLogP of 1.29, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide is sourced from PubChem (CID 33472385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).