2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide

C22H19N3O5 — CID 4943701

IUPAC2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H19N3O5/c1-15(30-20-14-8-7-13-19(20)25(28)29)21(26)24-18-12-6-5-11-17(18)22(27)23-16-9-3-2-4-10-16/h2-15H,1H3,(H,23,27)(H,24,26)
InChIKeyZPKOPKJFKNTDFU-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.25
Rot. Bonds7

About 2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide

2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide (PubChem CID 4943701) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
PubChem CID4943701
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H19N3O5/c1-15(30-20-14-8-7-13-19(20)25(28)29)21(26)24-18-12-6-5-11-17(18)22(27)23-16-9-3-2-4-10-16/h2-15H,1H3,(H,23,27)(H,24,26)
InChIKeyZPKOPKJFKNTDFU-UHFFFAOYSA-N
XLogP4.25
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.25
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
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205343
N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205670
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide?
The IUPAC name of 2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide (CID 4943701) is 2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide?
The InChIKey is ZPKOPKJFKNTDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-15(30-20-14-8-7-13-19(20)25(28)29)21(26)24-18-12-6-5-11-17(18)22(27)23-16-9-3-2-4-10-16/h2-15H,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide?
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide has a molecular weight of 405.41 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide is sourced from PubChem (CID 4943701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).