N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide

C15H14N2O4 — CID 895335

IUPACN-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O4/c1-11(18)16-13-4-8-15(9-5-13)21-10-12-2-6-14(7-3-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyANJPFFFWWNXZMT-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.13
Rot. Bonds5

About N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide

N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide (PubChem CID 895335) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
PubChem CID895335
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O4/c1-11(18)16-13-4-8-15(9-5-13)21-10-12-2-6-14(7-3-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyANJPFFFWWNXZMT-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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'}

Analyze N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[4-(4-nitrophenyl)sulfanylphenyl]methoxy]phenyl]acetamide
CID 1262392
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide
CID 134324420
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
N-[4-[3-(4-nitrophenoxy)propylsulfanyl]phenyl]acetamide
CID 60529148
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
(E)-2-acetamido-3-[4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid
CID 6209770

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide (CID 895335) is N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide?
The InChIKey is ANJPFFFWWNXZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-11(18)16-13-4-8-15(9-5-13)21-10-12-2-6-14(7-3-12)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide?
N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide has a molecular weight of 286.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 895335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).