N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide

C15H14N2O4 — CID 64793021

IUPACN-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CO)cc1
InChIInChI=1S/C15H14N2O4/c18-10-12-1-5-13(6-2-12)16-15(19)9-11-3-7-14(8-4-11)17(20)21/h1-8,18H,9-10H2,(H,16,19)
InChIKeyFTAILIJQMPZOEF-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.27
Rot. Bonds5

About N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide

N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 64793021) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID64793021
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CO)cc1
InChIInChI=1S/C15H14N2O4/c18-10-12-1-5-13(6-2-12)16-15(19)9-11-3-7-14(8-4-11)17(20)21/h1-8,18H,9-10H2,(H,16,19)
InChIKeyFTAILIJQMPZOEF-UHFFFAOYSA-N
XLogP2.27
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
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

2-(4-methylsulfanylphenyl)-N-(4-nitrophenyl)acetamide
CID 18586808
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
2-[4-[[2-(4-nitrophenyl)acetyl]amino]phenoxy]acetate
CID 2231936
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide
CID 9405238
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide
CID 9398234
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide (CID 64793021) is N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CO)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is FTAILIJQMPZOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-10-12-1-5-13(6-2-12)16-15(19)9-11-3-7-14(8-4-11)17(20)21/h1-8,18H,9-10H2,(H,16,19).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide?
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 286.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 64793021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).