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

C16H13N3O5 — CID 8867215

IUPAC(2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H13N3O5/c20-15(11-5-3-6-12(8-11)19(22)23)17-18-16(21)14-9-10-4-1-2-7-13(10)24-14/h1-8,14H,9H2,(H,17,20)(H,18,21)/t14-/m1/s1
InChIKeyXNBIQFPFAGTMHC-CQSZACIVSA-N
MW327.30 g/mol
LogP1.36
Rot. Bonds3

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

(2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (PubChem CID 8867215) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is (2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
PubChem CID8867215
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Name(2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H13N3O5/c20-15(11-5-3-6-12(8-11)19(22)23)17-18-16(21)14-9-10-4-1-2-7-13(10)24-14/h1-8,14H,9H2,(H,17,20)(H,18,21)/t14-/m1/s1
InChIKeyXNBIQFPFAGTMHC-CQSZACIVSA-N
XLogP1.36
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-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

(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9086711
3-[[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9085488
N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide
CID 47443157
(2R)-N'-(2-fluorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9084789
(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
1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea
CID 47131760
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 110903627
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The IUPAC name of (2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (CID 8867215) is (2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for (2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for (2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The InChIKey is XNBIQFPFAGTMHC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13N3O5/c20-15(11-5-3-6-12(8-11)19(22)23)17-18-16(21)14-9-10-4-1-2-7-13(10)24-14/h1-8,14H,9H2,(H,17,20)(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
(2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide has a molecular weight of 327.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 8867215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).