N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide

C19H16N2O4 — CID 90497285

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide
SMILESO=C(NCC(O)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H16N2O4/c22-18(17-7-3-5-13-4-1-2-6-16(13)17)12-20-19(23)14-8-10-15(11-9-14)21(24)25/h1-11,18,22H,12H2,(H,20,23)
InChIKeyFPSAEHHAAGZFIN-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.21
Rot. Bonds5

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide (PubChem CID 90497285) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide
PubChem CID90497285
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide
SMILESO=C(NCC(O)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H16N2O4/c22-18(17-7-3-5-13-4-1-2-6-16(13)17)12-20-19(23)14-8-10-15(11-9-14)21(24)25/h1-11,18,22H,12H2,(H,20,23)
InChIKeyFPSAEHHAAGZFIN-UHFFFAOYSA-N
XLogP3.21
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.21
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-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
(3R)-3-naphthalen-1-yl-1-(4-nitrophenyl)butan-1-one
CID 101338138
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 40952744
N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide
CID 41453920
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
CID 7040519
5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide
CID 95367180
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178
5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
CID 166326558
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
CID 26795079

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide (CID 90497285) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide is O=C(NCC(O)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide?
The InChIKey is FPSAEHHAAGZFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-18(17-7-3-5-13-4-1-2-6-16(13)17)12-20-19(23)14-8-10-15(11-9-14)21(24)25/h1-11,18,22H,12H2,(H,20,23).
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide has a molecular weight of 336.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide is sourced from PubChem (CID 90497285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).