2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide

C18H15N3O3 — CID 16963020

IUPAC2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H15N3O3/c1-19-16-10-9-13(21(23)24)11-15(16)18(22)20-17-8-4-6-12-5-2-3-7-14(12)17/h2-11,19H,1H3,(H,20,22)
InChIKeyDUOAKVOAWSBHCW-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.04
Rot. Bonds4

About 2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide

2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide (PubChem CID 16963020) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
PubChem CID16963020
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H15N3O3/c1-19-16-10-9-13(21(23)24)11-15(16)18(22)20-17-8-4-6-12-5-2-3-7-14(12)17/h2-11,19H,1H3,(H,20,22)
InChIKeyDUOAKVOAWSBHCW-UHFFFAOYSA-N
XLogP4.04
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.04
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

2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
CID 6610544
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
2-(naphthalene-1-carbonylamino)-4-nitrobenzoate
CID 6961900
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 37201234
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330
2-(methylamino)-5-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 27017917
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
CID 24531978

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide?
The IUPAC name of 2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide (CID 16963020) is 2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide.
What is the SMILES notation for 2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide?
The canonical SMILES for 2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide?
The InChIKey is DUOAKVOAWSBHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-19-16-10-9-13(21(23)24)11-15(16)18(22)20-17-8-4-6-12-5-2-3-7-14(12)17/h2-11,19H,1H3,(H,20,22).
What are the key properties of 2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide?
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide has a molecular weight of 321.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide is sourced from PubChem (CID 16963020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).