2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide

C14H19N3O4 — CID 114793929

IUPAC2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCOc1c(C(=O)NCCC2CCCN2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-21-13-11(5-2-6-12(13)17(19)20)14(18)16-9-7-10-4-3-8-15-10/h2,5-6,10,15H,3-4,7-9H2,1H3,(H,16,18)
InChIKeyDPPVPAUYXYKQQG-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.48
Rot. Bonds6

About 2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide

2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 114793929) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID114793929
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCOc1c(C(=O)NCCC2CCCN2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-21-13-11(5-2-6-12(13)17(19)20)14(18)16-9-7-10-4-3-8-15-10/h2,5-6,10,15H,3-4,7-9H2,1H3,(H,16,18)
InChIKeyDPPVPAUYXYKQQG-UHFFFAOYSA-N
XLogP1.48
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.48
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

5-chloro-2-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793853
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
2-bromo-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971622
2-fluoro-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971818
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555
3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide
CID 105064206
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104972057
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)benzamide;hydrochloride
CID 154909146
3-methyl-2-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62540214

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 114793929) is 2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide is COc1c(C(=O)NCCC2CCCN2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is DPPVPAUYXYKQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-13-11(5-2-6-12(13)17(19)20)14(18)16-9-7-10-4-3-8-15-10/h2,5-6,10,15H,3-4,7-9H2,1H3,(H,16,18).
What are the key properties of 2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide?
2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 114793929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).