(2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide

C16H15N3O3 — CID 100595292

IUPAC(2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
SMILESNNC(=O)[C@H]1CN(C(=O)c2ccccc2)c2ccccc2O1
InChIInChI=1S/C16H15N3O3/c17-18-15(20)14-10-19(12-8-4-5-9-13(12)22-14)16(21)11-6-2-1-3-7-11/h1-9,14H,10,17H2,(H,18,20)/t14-/m1/s1
InChIKeyOBTBDSBOJLUCDB-CQSZACIVSA-N
MW297.31 g/mol
LogP1.08
Rot. Bonds2

About (2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide

(2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide (PubChem CID 100595292) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
PubChem CID100595292
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
SMILESNNC(=O)[C@H]1CN(C(=O)c2ccccc2)c2ccccc2O1
InChIInChI=1S/C16H15N3O3/c17-18-15(20)14-10-19(12-8-4-5-9-13(12)22-14)16(21)11-6-2-1-3-7-11/h1-9,14H,10,17H2,(H,18,20)/t14-/m1/s1
InChIKeyOBTBDSBOJLUCDB-CQSZACIVSA-N
XLogP1.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 133240191
(2S)-4-(2-phenylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 100595132
(2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 100595473
4-(2-phenoxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 133185734
(2R)-4-(4-tert-butylbenzoyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945213
(2R)-N-methyl-4-(4-methylsulfanylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946622
N-benzyl-4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133239456
4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 164614304
(2R)-N-methyl-4-(4-phenylmethoxybenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945926
(2R)-4-(4-fluorobenzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9101326
(2R)-N-methyl-4-[4-(2-methylpropyl)benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946371
(2S)-N-methyl-4-[4-(trifluoromethoxy)benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946146

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide?
The IUPAC name of (2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide (CID 100595292) is (2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide.
What is the SMILES notation for (2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide?
The canonical SMILES for (2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide is NNC(=O)[C@H]1CN(C(=O)c2ccccc2)c2ccccc2O1.
What is the InChIKey of (2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide?
The InChIKey is OBTBDSBOJLUCDB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-18-15(20)14-10-19(12-8-4-5-9-13(12)22-14)16(21)11-6-2-1-3-7-11/h1-9,14H,10,17H2,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide?
(2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide has a molecular weight of 297.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide is sourced from PubChem (CID 100595292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).