N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide

C15H14N2O4 — CID 2787243

IUPACN-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4/c1-11-4-2-3-5-14(11)16-15(18)10-21-13-8-6-12(7-9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyHCBACWXZBAXADP-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.92
Rot. Bonds5

About N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide

N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 2787243) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID2787243
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4/c1-11-4-2-3-5-14(11)16-15(18)10-21-13-8-6-12(7-9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyHCBACWXZBAXADP-UHFFFAOYSA-N
XLogP2.92
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.92
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-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide
CID 171131661
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945414
1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea
CID 24819119

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide (CID 2787243) is N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide is Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is HCBACWXZBAXADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-11-4-2-3-5-14(11)16-15(18)10-21-13-8-6-12(7-9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 286.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 2787243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).