3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide

C15H21N3O4 — CID 70514590

IUPAC3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide
SMILESCCC(NC(=O)c1cccc(OC)c1[N+](=O)[O-])C1CCCN1
InChIInChI=1S/C15H21N3O4/c1-3-11(12-7-5-9-16-12)17-15(19)10-6-4-8-13(22-2)14(10)18(20)21/h4,6,8,11-12,16H,3,5,7,9H2,1-2H3,(H,17,19)
InChIKeyGRNQJFCXZMWWQR-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.86
Rot. Bonds6

About 3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide

3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide (PubChem CID 70514590) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide.

Molecular Properties

Compound Name3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide
PubChem CID70514590
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide
SMILESCCC(NC(=O)c1cccc(OC)c1[N+](=O)[O-])C1CCCN1
InChIInChI=1S/C15H21N3O4/c1-3-11(12-7-5-9-16-12)17-15(19)10-6-4-8-13(22-2)14(10)18(20)21/h4,6,8,11-12,16H,3,5,7,9H2,1-2H3,(H,17,19)
InChIKeyGRNQJFCXZMWWQR-UHFFFAOYSA-N
XLogP1.86
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.86
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

2-hydroxy-3-methoxy-N-(1-piperidin-2-ylethyl)benzamide
CID 43523294
3-methyl-2-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62540214
ethyl 2-[(3-methoxy-2-nitrobenzoyl)amino]-2-methylpropanoate
CID 134085677
2-ethoxy-N-(1-piperidin-2-ylethyl)benzamide
CID 43523339
N-(2-cyanopropyl)-3-methoxy-2-nitrobenzamide
CID 119035827
3-butan-2-yloxy-2-nitrobenzoic acid
CID 115541024
3-methoxy-2-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 99841643
2-piperidin-4-ylpropan-2-yl 3-methoxy-2-nitrobenzoate
CID 155605343
2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793929
3-chloro-N-(3-methylpentan-2-yl)-2-nitrobenzamide
CID 79832443
2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine
CID 114695421
N-(2-amino-1-cyclopropylethyl)-3-chloro-2-nitrobenzamide
CID 119614636

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide?
The IUPAC name of 3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide (CID 70514590) is 3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide.
What is the SMILES notation for 3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide?
The canonical SMILES for 3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide is CCC(NC(=O)c1cccc(OC)c1[N+](=O)[O-])C1CCCN1.
What is the InChIKey of 3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide?
The InChIKey is GRNQJFCXZMWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-11(12-7-5-9-16-12)17-15(19)10-6-4-8-13(22-2)14(10)18(20)21/h4,6,8,11-12,16H,3,5,7,9H2,1-2H3,(H,17,19).
What are the key properties of 3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide?
3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide has a molecular weight of 307.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-nitro-N-(1-pyrrolidin-2-ylpropyl)benzamide is sourced from PubChem (CID 70514590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).