5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

C14H19N3O4 — CID 102741535

IUPAC5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-10(9-16-6-2-3-7-16)15-14(19)12-8-11(18)4-5-13(12)17(20)21/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,15,19)
InChIKeyWFMJELLFKDMAOV-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.51
Rot. Bonds5

About 5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 102741535) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID102741535
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-10(9-16-6-2-3-7-16)15-14(19)12-8-11(18)4-5-13(12)17(20)21/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,15,19)
InChIKeyWFMJELLFKDMAOV-UHFFFAOYSA-N
XLogP1.51
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217350
5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 107076483
5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
CID 107076391
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
5-hydroxy-N-(2-methylbutyl)-2-nitrobenzamide
CID 102741753
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
azepan-1-yl-(5-hydroxy-2-nitrophenyl)methanone
CID 102740374
2-chloro-5-hydroxy-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 119035650
2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 100647066

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 102741535) is 5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is CC(CN1CCCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is WFMJELLFKDMAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10(9-16-6-2-3-7-16)15-14(19)12-8-11(18)4-5-13(12)17(20)21/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,15,19).
What are the key properties of 5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 102741535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).