4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide

C16H15N3O5 — CID 7865285

IUPAC4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15N3O5/c1-10(24-14-4-2-3-13(9-14)19(22)23)16(21)18-12-7-5-11(6-8-12)15(17)20/h2-10H,1H3,(H2,17,20)(H,18,21)/t10-/m0/s1
InChIKeyAACJMLBVHZSFLK-JTQLQIEISA-N
MW329.31 g/mol
LogP2.10
Rot. Bonds6

About 4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide

4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide (PubChem CID 7865285) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide
PubChem CID7865285
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15N3O5/c1-10(24-14-4-2-3-13(9-14)19(22)23)16(21)18-12-7-5-11(6-8-12)15(17)20/h2-10H,1H3,(H2,17,20)(H,18,21)/t10-/m0/s1
InChIKeyAACJMLBVHZSFLK-JTQLQIEISA-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

(2S)-N-(4-ethylphenyl)-2-(3-nitrophenoxy)propanamide
CID 7864960
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254
(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-nitrophenoxy)propanamide
CID 7865187
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-nitrophenoxy)propanamide
CID 7865185
(2S)-2-(3-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7865173
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632124
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate
CID 7718489
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide (CID 7865285) is 4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide is C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide?
The InChIKey is AACJMLBVHZSFLK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O5/c1-10(24-14-4-2-3-13(9-14)19(22)23)16(21)18-12-7-5-11(6-8-12)15(17)20/h2-10H,1H3,(H2,17,20)(H,18,21)/t10-/m0/s1.
What are the key properties of 4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide?
4-[[(2S)-2-(3-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 4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 7865285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).