4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C18H19N3O3 — CID 24658307

IUPAC4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O3/c1-19-16-10-9-13(11-17(16)21(23)24)18(22)20-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8-11,19H,2-3,5,7H2,1H3,(H,20,22)
InChIKeyBUXSVIJZQWEGLI-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.77
Rot. Bonds4

About 4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 24658307) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID24658307
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O3/c1-19-16-10-9-13(11-17(16)21(23)24)18(22)20-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8-11,19H,2-3,5,7H2,1H3,(H,20,22)
InChIKeyBUXSVIJZQWEGLI-UHFFFAOYSA-N
XLogP3.77
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.77
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

4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011538
ethyl 3-nitro-5-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)benzoate
CID 16959263
5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 16545699
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26516166
3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 61092120
4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55135799
4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide
CID 9150351
4-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 62238146
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-(1,3-benzodioxol-5-yl)-4-(methylamino)-3-nitrobenzamide
CID 7406884
N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
CID 9431711

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 24658307) is 4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is CNc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1[N+](=O)[O-].
What is the InChIKey of 4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is BUXSVIJZQWEGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-19-16-10-9-13(11-17(16)21(23)24)18(22)20-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8-11,19H,2-3,5,7H2,1H3,(H,20,22).
What are the key properties of 4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 24658307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).