N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide

C21H20N4O3 — CID 78813995

IUPACN-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C21H20N4O3/c26-19(16-10-5-2-6-11-16)23-18(14-15-8-3-1-4-9-15)21(28)25-24-20(27)17-12-7-13-22-17/h1-13,18,22H,14H2,(H,23,26)(H,24,27)(H,25,28)
InChIKeyWRIBSDPGGLZXPJ-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.82
Rot. Bonds6

About N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide

N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide (PubChem CID 78813995) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide
PubChem CID78813995
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C21H20N4O3/c26-19(16-10-5-2-6-11-16)23-18(14-15-8-3-1-4-9-15)21(28)25-24-20(27)17-12-7-13-22-17/h1-13,18,22H,14H2,(H,23,26)(H,24,27)(H,25,28)
InChIKeyWRIBSDPGGLZXPJ-UHFFFAOYSA-N
XLogP1.82
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.82
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

(2S)-3-(4-hydroxyphenyl)-2-(1H-pyrrole-2-carbonylamino)propanoic acid
CID 28741270
N-[(2R)-1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]benzamide
CID 9227321
N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 25353531
N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7601258
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
CID 119220838
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 2282526
N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]acetamide
CID 24838768
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide (CID 78813995) is N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide?
The InChIKey is WRIBSDPGGLZXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-19(16-10-5-2-6-11-16)23-18(14-15-8-3-1-4-9-15)21(28)25-24-20(27)17-12-7-13-22-17/h1-13,18,22H,14H2,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide?
N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide is sourced from PubChem (CID 78813995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).