N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide

C14H18BrN3O3 — CID 106974444

IUPACN-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCN1
InChIInChI=1S/C14H18BrN3O3/c1-2-6-14(7-3-8-16-14)13(19)17-12-5-4-10(18(20)21)9-11(12)15/h4-5,9,16H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyRDHQOQPSVBQLFQ-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.22
Rot. Bonds5

About N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide

N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974444) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974444
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCN1
InChIInChI=1S/C14H18BrN3O3/c1-2-6-14(7-3-8-16-14)13(19)17-12-5-4-10(18(20)21)9-11(12)15/h4-5,9,16H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyRDHQOQPSVBQLFQ-UHFFFAOYSA-N
XLogP3.22
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.22
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-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974156
2-ethyl-N-(2-fluoro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83071836
N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974417
N-(2-bromo-4-nitrophenyl)-3-methylpiperidine-3-carboxamide
CID 63130791
N-(2-bromo-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 63121705
N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071648
1-(aminomethyl)-N-(2-bromo-4-nitrophenyl)cyclobutane-1-carboxamide
CID 115447730
N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974155
N-(2-bromo-4-nitrophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114003676
N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975900
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide (CID 106974444) is N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCN1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is RDHQOQPSVBQLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-2-6-14(7-3-8-16-14)13(19)17-12-5-4-10(18(20)21)9-11(12)15/h4-5,9,16H,2-3,6-8H2,1H3,(H,17,19).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).