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

C16H15N3O5 — CID 808122

IUPACN-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O5/c1-11(20)17-12-2-4-13(5-3-12)18-16(21)10-24-15-8-6-14(7-9-15)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyINRVXXKFRUNFTH-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.57
Rot. Bonds6

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

N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 808122) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID808122
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O5/c1-11(20)17-12-2-4-13(5-3-12)18-16(21)10-24-15-8-6-14(7-9-15)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyINRVXXKFRUNFTH-UHFFFAOYSA-N
XLogP2.57
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Diamfenetide
CID 37384
3'-Nitro-p-acetophenetidide
CID 15685
N-(4-Phenoxyphenyl)acetamide
CID 80579
Ace-011
CID 2877953
5'-Nitro-2'-propoxyacetanilide
CID 68377
N-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
Acetanilide, 4'-(p-nitrophenoxy)-
CID 165015
Phenoxyacetanilide
CID 264248
4'-Methoxy-3'-nitroacetanilide
CID 95043
N-(4-Methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 563135
N-(4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788382
N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide
CID 2861723

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide (CID 808122) is N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide is CC(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is INRVXXKFRUNFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-11(20)17-12-2-4-13(5-3-12)18-16(21)10-24-15-8-6-14(7-9-15)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide?
N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 329.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 808122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).