3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide

C17H17N3O3 — CID 7810315

IUPAC3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
SMILESNC(=O)c1ccc(N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O3/c18-17(21)12-8-9-15(16(10-12)20(22)23)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,19H,3,5,7H2,(H2,18,21)/t14-/m0/s1
InChIKeyUXLPQAHCTYRGPI-AWEZNQCLSA-N
MW311.34 g/mol
LogP3.18
Rot. Bonds4

About 3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide

3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide (PubChem CID 7810315) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide.

Molecular Properties

Compound Name3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
PubChem CID7810315
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
SMILESNC(=O)c1ccc(N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O3/c18-17(21)12-8-9-15(16(10-12)20(22)23)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,19H,3,5,7H2,(H2,18,21)/t14-/m0/s1
InChIKeyUXLPQAHCTYRGPI-AWEZNQCLSA-N
XLogP3.18
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.18
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

(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-3-nitrobenzamide
CID 52505874
N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide
CID 51301435
4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide
CID 51301434
N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide
CID 43056658
4-amino-3-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550785
1-[3-nitro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]piperidine-2,6-dione
CID 3339995
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
CID 43178184
4-nitro-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62506812
N-(5-fluoro-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62376615
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]benzamide
CID 95140674
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide?
The IUPAC name of 3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide (CID 7810315) is 3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide.
What is the SMILES notation for 3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide?
The canonical SMILES for 3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide is NC(=O)c1ccc(N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide?
The InChIKey is UXLPQAHCTYRGPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N3O3/c18-17(21)12-8-9-15(16(10-12)20(22)23)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,19H,3,5,7H2,(H2,18,21)/t14-/m0/s1.
What are the key properties of 3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide?
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide has a molecular weight of 311.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide is sourced from PubChem (CID 7810315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).