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

C15H13ClN2O4 — CID 4943656

IUPACN-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O4/c1-10(15(19)17-12-7-3-2-6-11(12)16)22-14-9-5-4-8-13(14)18(20)21/h2-10H,1H3,(H,17,19)
InChIKeyTZTSOPPEOBMSKY-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.65
Rot. Bonds5

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

N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide (PubChem CID 4943656) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
PubChem CID4943656
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC NameN-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O4/c1-10(15(19)17-12-7-3-2-6-11(12)16)22-14-9-5-4-8-13(14)18(20)21/h2-10H,1H3,(H,17,19)
InChIKeyTZTSOPPEOBMSKY-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'}

Analyze N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205343
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
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
(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384201
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
CID 4943701

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide (CID 4943656) is N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide?
The InChIKey is TZTSOPPEOBMSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-10(15(19)17-12-7-3-2-6-11(12)16)22-14-9-5-4-8-13(14)18(20)21/h2-10H,1H3,(H,17,19).
What are the key properties of N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide?
N-(2-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-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 4943656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).