N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide

C17H15N3O4 — CID 7101679

IUPACN-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide
SMILESNNC(=O)[C@H](NC(=O)c1ccccc1)[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C17H15N3O4/c18-20-16(22)13(19-15(21)10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)17(23)24-14/h1-9,13-14H,18H2,(H,19,21)(H,20,22)/t13-,14-/m1/s1
InChIKeyOGHMROWZAKIMCU-ZIAGYGMSSA-N
MW325.32 g/mol
LogP0.69
Rot. Bonds4

About N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide

N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide (PubChem CID 7101679) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide
PubChem CID7101679
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide
SMILESNNC(=O)[C@H](NC(=O)c1ccccc1)[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C17H15N3O4/c18-20-16(22)13(19-15(21)10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)17(23)24-14/h1-9,13-14H,18H2,(H,19,21)(H,20,22)/t13-,14-/m1/s1
InChIKeyOGHMROWZAKIMCU-ZIAGYGMSSA-N
XLogP0.69
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxo-1H-2-benzofuran-1-yl)-1-phenylbutane-1,3-dione
CID 10756184
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
(3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one
CID 131155996
(3S)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one
CID 131041803
(3S)-3-propan-2-yl-3H-2-benzofuran-1-one
CID 102418556
3-[chloro(phenyl)methyl]-3H-2-benzofuran-1-one
CID 86305943
benzohydrazide;molybdenum
CID 162076561
ethyl 4,4-dimethyl-3-oxo-2-(3-oxo-1H-2-benzofuran-1-yl)pentanoate
CID 132594570
N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide
CID 7714424
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
1-amino-3-[(E)-[(2S)-1-(4-hydroxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]propylidene]amino]thiourea
CID 137105780

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide?
The IUPAC name of N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide (CID 7101679) is N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide?
The canonical SMILES for N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide is NNC(=O)[C@H](NC(=O)c1ccccc1)[C@@H]1OC(=O)c2ccccc21.
What is the InChIKey of N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide?
The InChIKey is OGHMROWZAKIMCU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H15N3O4/c18-20-16(22)13(19-15(21)10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)17(23)24-14/h1-9,13-14H,18H2,(H,19,21)(H,20,22)/t13-,14-/m1/s1.
What are the key properties of N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide?
N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide has a molecular weight of 325.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydrazinyl-2-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethyl]benzamide is sourced from PubChem (CID 7101679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).