N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide

C15H13ClN2O4 — CID 4943658

IUPACN-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O4/c1-10(15(19)17-12-8-6-11(16)7-9-12)22-14-5-3-2-4-13(14)18(20)21/h2-10H,1H3,(H,17,19)
InChIKeyRKGSGLZLNFBIFP-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.65
Rot. Bonds5

About N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide

N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide (PubChem CID 4943658) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
PubChem CID4943658
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC NameN-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O4/c1-10(15(19)17-12-8-6-11(16)7-9-12)22-14-5-3-2-4-13(14)18(20)21/h2-10H,1H3,(H,17,19)
InChIKeyRKGSGLZLNFBIFP-UHFFFAOYSA-N
XLogP3.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide
CID 4943664
2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4943938
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide (CID 4943658) is N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide?
The InChIKey is RKGSGLZLNFBIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-10(15(19)17-12-8-6-11(16)7-9-12)22-14-5-3-2-4-13(14)18(20)21/h2-10H,1H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide?
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide has a molecular weight of 320.73 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 4943658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).