2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide

C19H17N3O3 — CID 5115810

IUPAC2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide
SMILESO=C(CNCc1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O3/c23-19(21-17-10-3-4-11-18(17)22(24)25)13-20-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,20H,12-13H2,(H,21,23)
InChIKeyHUWKAHSNBYHOCY-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.48
Rot. Bonds6

About 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide

2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide (PubChem CID 5115810) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide
PubChem CID5115810
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide
SMILESO=C(CNCc1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O3/c23-19(21-17-10-3-4-11-18(17)22(24)25)13-20-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,20H,12-13H2,(H,21,23)
InChIKeyHUWKAHSNBYHOCY-UHFFFAOYSA-N
XLogP3.48
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.48
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,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-[(2-chlorophenyl)methylamino]-N-naphthalen-1-ylacetamide
CID 3974047
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
N-benzyl-N'-(2-nitrophenyl)butanediamide
CID 4619061
2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
CID 43708294
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide
CID 91196196
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide (CID 5115810) is 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide is O=C(CNCc1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide?
The InChIKey is HUWKAHSNBYHOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19(21-17-10-3-4-11-18(17)22(24)25)13-20-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,20H,12-13H2,(H,21,23).
What are the key properties of 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide?
2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 5115810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).