N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide

C22H19N3O3 — CID 86874325

IUPACN'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)C1Cc2ccccc2O1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C22H19N3O3/c26-21(17-11-5-6-12-18(17)23-16-9-2-1-3-10-16)24-25-22(27)20-14-15-8-4-7-13-19(15)28-20/h1-13,20,23H,14H2,(H,24,26)(H,25,27)
InChIKeyMGAJWSRAHMULRK-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.19
Rot. Bonds4

About N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide

N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (PubChem CID 86874325) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
PubChem CID86874325
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)C1Cc2ccccc2O1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C22H19N3O3/c26-21(17-11-5-6-12-18(17)23-16-9-2-1-3-10-16)24-25-22(27)20-14-15-8-4-7-13-19(15)28-20/h1-13,20,23H,14H2,(H,24,26)(H,25,27)
InChIKeyMGAJWSRAHMULRK-UHFFFAOYSA-N
XLogP3.19
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N'-(2-fluorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9084789
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42926742
(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9087960
N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 51229901
(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9086711
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
(2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 8867215
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
(2R)-N-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32578805
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876

Frequently Asked Questions

What is the IUPAC name of N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (CID 86874325) is N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is O=C(NNC(=O)C1Cc2ccccc2O1)c1ccccc1Nc1ccccc1.
What is the InChIKey of N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The InChIKey is MGAJWSRAHMULRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-21(17-11-5-6-12-18(17)23-16-9-2-1-3-10-16)24-25-22(27)20-14-15-8-4-7-13-19(15)28-20/h1-13,20,23H,14H2,(H,24,26)(H,25,27).
What are the key properties of N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide has a molecular weight of 373.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 86874325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).