4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide

C16H15N3O3 — CID 8921001

IUPAC4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c17-14-7-5-12(9-15(14)19(21)22)16(20)18-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2,(H,18,20)
InChIKeyCUBXBWLMSGTGRS-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.92
Rot. Bonds3

About 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide

4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide (PubChem CID 8921001) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide
PubChem CID8921001
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c17-14-7-5-12(9-15(14)19(21)22)16(20)18-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2,(H,18,20)
InChIKeyCUBXBWLMSGTGRS-UHFFFAOYSA-N
XLogP2.92
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115885265
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 7764899
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 60698538
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
4-amino-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280389
4-amino-N-(4-cyanophenyl)-3-nitrobenzamide
CID 60630970
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 2646233
4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide
CID 38323018
4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 55692147
ethyl 4-[(4-amino-3-nitrobenzoyl)amino]benzoate
CID 8885571
4-amino-3-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 60516646

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide (CID 8921001) is 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide is Nc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide?
The InChIKey is CUBXBWLMSGTGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-14-7-5-12(9-15(14)19(21)22)16(20)18-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2,(H,18,20).
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide?
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide has a molecular weight of 297.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide is sourced from PubChem (CID 8921001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).