N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide

C15H13ClN2O4 — CID 108795459

IUPACN-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H13ClN2O4/c16-13-10-11(18(20)21)6-7-14(13)17-15(19)8-9-22-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,17,19)
InChIKeyKXNBQLJVUIWKLV-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.66
Rot. Bonds6

About N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide

N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide (PubChem CID 108795459) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
PubChem CID108795459
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC NameN-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H13ClN2O4/c16-13-10-11(18(20)21)6-7-14(13)17-15(19)8-9-22-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,17,19)
InChIKeyKXNBQLJVUIWKLV-UHFFFAOYSA-N
XLogP3.66
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.66
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-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide
CID 108807000
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
CID 79200065
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31654745
3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 108802892
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide (CID 108795459) is N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide?
The InChIKey is KXNBQLJVUIWKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-13-10-11(18(20)21)6-7-14(13)17-15(19)8-9-22-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,17,19).
What are the key properties of N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide?
N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide has a molecular weight of 320.73 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide is sourced from PubChem (CID 108795459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).