N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide

C17H17ClN2O4 — CID 108807182

IUPACN-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17ClN2O4/c1-2-12-3-6-14(7-4-12)24-10-9-17(21)19-13-5-8-15(18)16(11-13)20(22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKeyZOBPJLNPPJFIRJ-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.22
Rot. Bonds7

About N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide

N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide (PubChem CID 108807182) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
PubChem CID108807182
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17ClN2O4/c1-2-12-3-6-14(7-4-12)24-10-9-17(21)19-13-5-8-15(18)16(11-13)20(22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKeyZOBPJLNPPJFIRJ-UHFFFAOYSA-N
XLogP4.22
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.22
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-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide
CID 19191422
N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
CID 19173108
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide
CID 108790150
methyl 2-[4-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695259
N-(3-acetamido-4-chlorophenyl)-3-(4-nitrophenoxy)propanamide
CID 86845100
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38763807
4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19191276
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
CID 38701334
3-[butyl(methyl)amino]-N-(4-chloro-3-nitrophenyl)propanamide
CID 108806818

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide (CID 108807182) is N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide is CCc1ccc(OCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide?
The InChIKey is ZOBPJLNPPJFIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-2-12-3-6-14(7-4-12)24-10-9-17(21)19-13-5-8-15(18)16(11-13)20(22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21).
What are the key properties of N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide?
N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide has a molecular weight of 348.79 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 108807182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).