4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide

C19H21N3O3 — CID 51301434

IUPAC4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC2CCc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C19H21N3O3/c1-12(2)20-19(23)14-8-10-17(18(11-14)22(24)25)21-16-9-7-13-5-3-4-6-15(13)16/h3-6,8,10-12,16,21H,7,9H2,1-2H3,(H,20,23)
InChIKeyNJAMYYIGZUJYAE-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.83
Rot. Bonds5

About 4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide

4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide (PubChem CID 51301434) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide
PubChem CID51301434
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC2CCc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C19H21N3O3/c1-12(2)20-19(23)14-8-10-17(18(11-14)22(24)25)21-16-9-7-13-5-3-4-6-15(13)16/h3-6,8,10-12,16,21H,7,9H2,1-2H3,(H,20,23)
InChIKeyNJAMYYIGZUJYAE-UHFFFAOYSA-N
XLogP3.83
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.83
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

N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide
CID 51301435
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
CID 7810315
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 42925944
4-chloro-3-nitro-N-[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]benzamide
CID 8927013
4-(4-acetylpiperazin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 55458056
4-acetamido-3-nitro-N-propan-2-ylbenzamide
CID 596994
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
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219095
4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-3-nitro-N-propan-2-ylbenzamide
CID 55830422
3-nitro-4-[1-(oxan-4-yl)ethylamino]-N-propan-2-ylbenzamide
CID 133366227

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide (CID 51301434) is 4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC2CCc3ccccc32)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide?
The InChIKey is NJAMYYIGZUJYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(2)20-19(23)14-8-10-17(18(11-14)22(24)25)21-16-9-7-13-5-3-4-6-15(13)16/h3-6,8,10-12,16,21H,7,9H2,1-2H3,(H,20,23).
What are the key properties of 4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide?
4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide has a molecular weight of 339.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide is sourced from PubChem (CID 51301434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).