N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide

C16H18N4O3 — CID 78814112

IUPACN-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C16H18N4O3/c21-14(19-20-16(23)13-8-4-10-17-13)9-5-11-18-15(22)12-6-2-1-3-7-12/h1-4,6-8,10,17H,5,9,11H2,(H,18,22)(H,19,21)(H,20,23)
InChIKeyGLGBECPMYIMAPA-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.99
Rot. Bonds6

About N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide

N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide (PubChem CID 78814112) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide
PubChem CID78814112
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C16H18N4O3/c21-14(19-20-16(23)13-8-4-10-17-13)9-5-11-18-15(22)12-6-2-1-3-7-12/h1-4,6-8,10,17H,5,9,11H2,(H,18,22)(H,19,21)(H,20,23)
InChIKeyGLGBECPMYIMAPA-UHFFFAOYSA-N
XLogP0.99
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.99
H-Bond Donors ≤ 54
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

N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 78893909
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate
CID 9471691
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39761126
N-(4-oxopentyl)benzamide
CID 10798281
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757
N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide
CID 78861087
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide?
The IUPAC name of N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide (CID 78814112) is N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NNC(=O)c1ccc[nH]1.
What is the InChIKey of N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide?
The InChIKey is GLGBECPMYIMAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-14(19-20-16(23)13-8-4-10-17-13)9-5-11-18-15(22)12-6-2-1-3-7-12/h1-4,6-8,10,17H,5,9,11H2,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide?
N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide has a molecular weight of 314.34 g/mol, XLogP of 0.99, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide is sourced from PubChem (CID 78814112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).