8-nitro-N-propan-2-ylnaphthalene-1-carboxamide

C14H14N2O3 — CID 163233016

IUPAC8-nitro-N-propan-2-ylnaphthalene-1-carboxamide
SMILESCC(C)NC(=O)c1cccc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C14H14N2O3/c1-9(2)15-14(17)11-7-3-5-10-6-4-8-12(13(10)11)16(18)19/h3-9H,1-2H3,(H,15,17)
InChIKeyKERFPOHHEITSIY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.89
Rot. Bonds3

About 8-nitro-N-propan-2-ylnaphthalene-1-carboxamide

8-nitro-N-propan-2-ylnaphthalene-1-carboxamide (PubChem CID 163233016) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 8-nitro-N-propan-2-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name8-nitro-N-propan-2-ylnaphthalene-1-carboxamide
PubChem CID163233016
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name8-nitro-N-propan-2-ylnaphthalene-1-carboxamide
SMILESCC(C)NC(=O)c1cccc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C14H14N2O3/c1-9(2)15-14(17)11-7-3-5-10-6-4-8-12(13(10)11)16(18)19/h3-9H,1-2H3,(H,15,17)
InChIKeyKERFPOHHEITSIY-UHFFFAOYSA-N
XLogP2.89
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.89
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-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]propanoate
CID 60638962
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
2-nitro-N-(3-oxobutan-2-yl)benzamide
CID 64997071
(2-nitrophenyl) N-propan-2-ylcarbamate
CID 11241573
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264
2-methyl-3-nitro-N-(propan-2-ylcarbamothioyl)benzamide
CID 18823108
4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
CID 102741844
N-(1-cyanoethyl)-2-nitrobenzamide
CID 55139517
N-(1-cyanoethyl)-2-methyl-3-nitrobenzamide
CID 61120058
2-methyl-3-nitro-N-[(2S)-pentan-2-yl]benzamide
CID 879627

Frequently Asked Questions

What is the IUPAC name of 8-nitro-N-propan-2-ylnaphthalene-1-carboxamide?
The IUPAC name of 8-nitro-N-propan-2-ylnaphthalene-1-carboxamide (CID 163233016) is 8-nitro-N-propan-2-ylnaphthalene-1-carboxamide.
What is the SMILES notation for 8-nitro-N-propan-2-ylnaphthalene-1-carboxamide?
The canonical SMILES for 8-nitro-N-propan-2-ylnaphthalene-1-carboxamide is CC(C)NC(=O)c1cccc2cccc([N+](=O)[O-])c12.
What is the InChIKey of 8-nitro-N-propan-2-ylnaphthalene-1-carboxamide?
The InChIKey is KERFPOHHEITSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(2)15-14(17)11-7-3-5-10-6-4-8-12(13(10)11)16(18)19/h3-9H,1-2H3,(H,15,17).
What are the key properties of 8-nitro-N-propan-2-ylnaphthalene-1-carboxamide?
8-nitro-N-propan-2-ylnaphthalene-1-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-N-propan-2-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 163233016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).