2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide

C16H15N3O5 — CID 9205343

IUPAC2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
SMILESC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H15N3O5/c1-10(24-14-9-5-4-8-13(14)19(22)23)16(21)18-12-7-3-2-6-11(12)15(17)20/h2-10H,1H3,(H2,17,20)(H,18,21)/t10-/m1/s1
InChIKeyRWNLLWALOPVSGQ-SNVBAGLBSA-N
MW329.31 g/mol
LogP2.10
Rot. Bonds6

About 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide

2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide (PubChem CID 9205343) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
PubChem CID9205343
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
SMILESC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H15N3O5/c1-10(24-14-9-5-4-8-13(14)19(22)23)16(21)18-12-7-3-2-6-11(12)15(17)20/h2-10H,1H3,(H2,17,20)(H,18,21)/t10-/m1/s1
InChIKeyRWNLLWALOPVSGQ-SNVBAGLBSA-N
XLogP2.10
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.10
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'}

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Related Compounds

2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 42579619
N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205670
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
CID 4943701
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205655
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The IUPAC name of 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide (CID 9205343) is 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide is C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The InChIKey is RWNLLWALOPVSGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-10(24-14-9-5-4-8-13(14)19(22)23)16(21)18-12-7-3-2-6-11(12)15(17)20/h2-10H,1H3,(H2,17,20)(H,18,21)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide has a molecular weight of 329.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 9205343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).