2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide

C20H18N2O3 — CID 46178562

IUPAC2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C20H18N2O3/c1-13-7-10-18(22(24)25)12-19(13)20(23)21-14(2)16-9-8-15-5-3-4-6-17(15)11-16/h3-12,14H,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyNTYWGBZTZBGFHT-CQSZACIVSA-N
MW334.38 g/mol
LogP4.55
Rot. Bonds4

About 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide

2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide (PubChem CID 46178562) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide
PubChem CID46178562
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C20H18N2O3/c1-13-7-10-18(22(24)25)12-19(13)20(23)21-14(2)16-9-8-15-5-3-4-6-17(15)11-16/h3-12,14H,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyNTYWGBZTZBGFHT-CQSZACIVSA-N
XLogP4.55
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.55
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-chloro-N-[3-methyl-1-(1-naphthalen-2-ylethylamino)-1-oxobutan-2-yl]-4-nitrobenzamide
CID 112762265
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
2-[(2-methyl-5-nitrobenzoyl)amino]propanoic acid
CID 61292265
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide
CID 163236401
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-nitrobenzamide;hydrochloride
CID 120509207
N-(6-bromo-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 47363958
2-methyl-N-[3-methyl-1-(1-naphthalen-2-ylethylamino)-1-oxobutan-2-yl]benzamide
CID 43011329
2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide
CID 34763220
2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 46559978
2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 55733783
N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide
CID 100712098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide?
The IUPAC name of 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide (CID 46178562) is 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide?
The InChIKey is NTYWGBZTZBGFHT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13-7-10-18(22(24)25)12-19(13)20(23)21-14(2)16-9-8-15-5-3-4-6-17(15)11-16/h3-12,14H,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide?
2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide has a molecular weight of 334.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide is sourced from PubChem (CID 46178562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).