5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C17H15ClN2O3 — CID 2654690

IUPAC5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H15ClN2O3/c18-12-8-9-16(20(22)23)14(10-12)17(21)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7H2,(H,19,21)/t15-/m1/s1
InChIKeyQXHNUFRFEZRGSD-OAHLLOKOSA-N
MW330.77 g/mol
LogP4.06
Rot. Bonds3

About 5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 2654690) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID2654690
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H15ClN2O3/c18-12-8-9-16(20(22)23)14(10-12)17(21)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7H2,(H,19,21)/t15-/m1/s1
InChIKeyQXHNUFRFEZRGSD-OAHLLOKOSA-N
XLogP4.06
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.06
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

4-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216819
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
2-chloro-4-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2468990
4-amino-3-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550785
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 40597380
2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550783
2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125171601
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
6-chloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-chromene-3-carboxamide
CID 6930468
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 2654690) is 5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(N[C@@H]1CCCc2ccccc21)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is QXHNUFRFEZRGSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-12-8-9-16(20(22)23)14(10-12)17(21)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7H2,(H,19,21)/t15-/m1/s1.
What are the key properties of 5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 330.77 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 2654690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).