N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide

C21H18N2O3 — CID 26880181

IUPACN-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H18N2O3/c24-21(15-18-11-5-7-13-20(18)23(25)26)22-19-12-6-4-10-17(19)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,22,24)
InChIKeyPKLSLXXQFOXZNB-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.37
Rot. Bonds6

About N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide

N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide (PubChem CID 26880181) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
PubChem CID26880181
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H18N2O3/c24-21(15-18-11-5-7-13-20(18)23(25)26)22-19-12-6-4-10-17(19)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,22,24)
InChIKeyPKLSLXXQFOXZNB-UHFFFAOYSA-N
XLogP4.37
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
CID 35728569
[2-(2-benzylanilino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 7382290
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide
CID 37035145
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 9450716
1-(2-benzylphenyl)-3-(3-nitrophenyl)urea
CID 17267452
4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide
CID 31969807
N-(2-benzylphenyl)-2-(4-methylphenyl)acetamide
CID 9192456

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide (CID 26880181) is N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is PKLSLXXQFOXZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-21(15-18-11-5-7-13-20(18)23(25)26)22-19-12-6-4-10-17(19)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,22,24).
What are the key properties of N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide?
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 26880181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).