N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide

C16H14F2N2O4 — CID 75512350

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O4/c17-12-5-2-6-13(18)16(12)14(21)9-19-15(22)8-10-3-1-4-11(7-10)20(23)24/h1-7,14,21H,8-9H2,(H,19,22)
InChIKeyPBICKZLGRLYRCB-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.27
Rot. Bonds6

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide (PubChem CID 75512350) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide
PubChem CID75512350
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O4/c17-12-5-2-6-13(18)16(12)14(21)9-19-15(22)8-10-3-1-4-11(7-10)20(23)24/h1-7,14,21H,8-9H2,(H,19,22)
InChIKeyPBICKZLGRLYRCB-UHFFFAOYSA-N
XLogP2.27
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
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

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-fluoro-4-nitrobenzamide
CID 111451339
3-methyl-2-[[[2-(3-nitrophenyl)acetyl]amino]methyl]butanoic acid
CID 104540991
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 111451400
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-nitrophenol
CID 111449316
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119628240
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-nitrobenzamide
CID 110888918
2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
CID 174553789
N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide
CID 103820765
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide (CID 75512350) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)NCC(O)c1c(F)cccc1F.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide?
The InChIKey is PBICKZLGRLYRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c17-12-5-2-6-13(18)16(12)14(21)9-19-15(22)8-10-3-1-4-11(7-10)20(23)24/h1-7,14,21H,8-9H2,(H,19,22).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide has a molecular weight of 336.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 75512350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).