N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C18H18N2O3 — CID 42916495

IUPACN-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-19(17-11-5-7-13-6-2-3-10-16(13)17)18(21)14-8-4-9-15(12-14)20(22)23/h2-4,6,8-10,12,17H,5,7,11H2,1H3
InChIKeySBLPCPIFGQOXGP-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.74
Rot. Bonds3

About N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 42916495) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID42916495
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-19(17-11-5-7-13-6-2-3-10-16(13)17)18(21)14-8-4-9-15(12-14)20(22)23/h2-4,6,8-10,12,17H,5,7,11H2,1H3
InChIKeySBLPCPIFGQOXGP-UHFFFAOYSA-N
XLogP3.74
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
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

N-[(2S)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 52535579
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46589652
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
3-(6-methoxypyridazin-3-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125165313
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 2-methyl-5-nitrobenzoate
CID 60596461
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
N-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51724937
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 42916495) is N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCc2ccccc21.
What is the InChIKey of N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is SBLPCPIFGQOXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19(17-11-5-7-13-6-2-3-10-16(13)17)18(21)14-8-4-9-15(12-14)20(22)23/h2-4,6,8-10,12,17H,5,7,11H2,1H3.
What are the key properties of N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 310.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 42916495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).