2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide

C17H14N2O3 — CID 24615540

IUPAC2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCC#Cc1ccccc1
InChIInChI=1S/C17H14N2O3/c20-17(13-15-10-4-5-11-16(15)19(21)22)18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,12-13H2,(H,18,20)
InChIKeyOHTGRLQGDVEIOU-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.31
Rot. Bonds4

About 2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide

2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide (PubChem CID 24615540) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide
PubChem CID24615540
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCC#Cc1ccccc1
InChIInChI=1S/C17H14N2O3/c20-17(13-15-10-4-5-11-16(15)19(21)22)18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,12-13H2,(H,18,20)
InChIKeyOHTGRLQGDVEIOU-UHFFFAOYSA-N
XLogP2.31
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.31
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-(3-phenylprop-2-ynyl)benzamide
CID 51325780
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
N-(2-benzylsulfanylethyl)-2-(2-nitrophenyl)acetamide
CID 4016425
2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
CID 51332688
(2-nitrophenyl)methylcarbamic acid
CID 18621803
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
CID 27230247
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 3387628

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide (CID 24615540) is 2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NCC#Cc1ccccc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide?
The InChIKey is OHTGRLQGDVEIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(13-15-10-4-5-11-16(15)19(21)22)18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,12-13H2,(H,18,20).
What are the key properties of 2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide?
2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide is sourced from PubChem (CID 24615540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).