N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide

C22H19N3O5 — CID 17235413

IUPACN-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O5/c1-15(30-20-10-6-5-9-19(20)25(28)29)21(26)23-17-11-13-18(14-12-17)24-22(27)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,26)(H,24,27)
InChIKeyUDZUDCILBIRRNL-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.25
Rot. Bonds7

About N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide

N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide (PubChem CID 17235413) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
PubChem CID17235413
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC NameN-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O5/c1-15(30-20-10-6-5-9-19(20)25(28)29)21(26)23-17-11-13-18(14-12-17)24-22(27)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,26)(H,24,27)
InChIKeyUDZUDCILBIRRNL-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

N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide
CID 17218280
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
CID 4943701
3-methyl-N-[4-[[2-(2-nitrophenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4944222
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390
N-(3-chloro-4-fluorophenyl)-3-[2-(2-nitrophenoxy)propanoylamino]benzamide
CID 43877935
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide?
The IUPAC name of N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide (CID 17235413) is N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide?
The InChIKey is UDZUDCILBIRRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-15(30-20-10-6-5-9-19(20)25(28)29)21(26)23-17-11-13-18(14-12-17)24-22(27)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide?
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide 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 N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 17235413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).