N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide

C16H15ClN2O4 — CID 38763807

IUPACN-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C16H15ClN2O4/c1-11-2-3-12(10-15(11)17)18-16(20)8-9-23-14-6-4-13(5-7-14)19(21)22/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyXALOEYLDKJRKES-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.96
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide

N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide (PubChem CID 38763807) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide
PubChem CID38763807
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C16H15ClN2O4/c1-11-2-3-12(10-15(11)17)18-16(20)8-9-23-14-6-4-13(5-7-14)19(21)22/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyXALOEYLDKJRKES-UHFFFAOYSA-N
XLogP3.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.96
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-(3-acetamido-4-chlorophenyl)-3-(4-nitrophenoxy)propanamide
CID 86845100
3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 108802892
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2665844
N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
CID 38701334
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807182
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19191276
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide
CID 108790150
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770418

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide (CID 38763807) is N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide is Cc1ccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide?
The InChIKey is XALOEYLDKJRKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-11-2-3-12(10-15(11)17)18-16(20)8-9-23-14-6-4-13(5-7-14)19(21)22/h2-7,10H,8-9H2,1H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide?
N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide has a molecular weight of 334.76 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 38763807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).