(2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide

C16H13Cl2N3O3 — CID 100595473

IUPAC(2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
SMILESNNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1
InChIInChI=1S/C16H13Cl2N3O3/c17-9-5-6-10(11(18)7-9)16(23)21-8-14(15(22)20-19)24-13-4-2-1-3-12(13)21/h1-7,14H,8,19H2,(H,20,22)/t14-/m0/s1
InChIKeyAGABFOUSJAQJMS-AWEZNQCLSA-N
MW366.20 g/mol
LogP2.39
Rot. Bonds2

About (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide

(2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide (PubChem CID 100595473) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
PubChem CID100595473
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Name(2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
SMILESNNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1
InChIInChI=1S/C16H13Cl2N3O3/c17-9-5-6-10(11(18)7-9)16(23)21-8-14(15(22)20-19)24-13-4-2-1-3-12(13)21/h1-7,14H,8,19H2,(H,20,22)/t14-/m0/s1
InChIKeyAGABFOUSJAQJMS-AWEZNQCLSA-N
XLogP2.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 52.39
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'}

Analyze (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 100595292
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
(2R)-4-[2-(2,4-dichlorophenyl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9101642
4-(2-phenoxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 133185734
4-[2-[1-(2,4-dichlorophenyl)ethylamino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42927104
[(2S)-4-(5-chloro-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 40863037
4-acetyl-N-(3,4-dichlorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43029722
(2S)-4-[3-[(2-chlorobenzoyl)amino]propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945451
(2S)-4-[2-(2-chlorophenyl)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945799
(5-bromo-2-chlorophenyl)-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71846987
4-[2-(3-chlorophenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46570720

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide?
The IUPAC name of (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide (CID 100595473) is (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide.
What is the SMILES notation for (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide?
The canonical SMILES for (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide is NNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1.
What is the InChIKey of (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide?
The InChIKey is AGABFOUSJAQJMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c17-9-5-6-10(11(18)7-9)16(23)21-8-14(15(22)20-19)24-13-4-2-1-3-12(13)21/h1-7,14H,8,19H2,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide?
(2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide has a molecular weight of 366.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide is sourced from PubChem (CID 100595473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).