3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H16BrN3O3 — CID 79759975

IUPAC3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16BrN3O3/c15-10-4-3-9(6-11(10)18(20)21)17-14(19)12-7-1-2-8(5-7)13(12)16/h3-4,6-8,12-13H,1-2,5,16H2,(H,17,19)
InChIKeyAZNVQURXFOKFIO-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.67
Rot. Bonds3

About 3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 79759975) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID79759975
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16BrN3O3/c15-10-4-3-9(6-11(10)18(20)21)17-14(19)12-7-1-2-8(5-7)13(12)16/h3-4,6-8,12-13H,1-2,5,16H2,(H,17,19)
InChIKeyAZNVQURXFOKFIO-UHFFFAOYSA-N
XLogP2.67
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.67
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

3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395688
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107790133
3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79048568
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
4-bromo-N-(3-cyclopropylcyclohexyl)-3-nitroaniline
CID 79754151
1-(4-bromo-3-nitrophenyl)-3-cyclohexylurea
CID 115766145
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 79759975) is 3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of 3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AZNVQURXFOKFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c15-10-4-3-9(6-11(10)18(20)21)17-14(19)12-7-1-2-8(5-7)13(12)16/h3-4,6-8,12-13H,1-2,5,16H2,(H,17,19).
What are the key properties of 3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 354.20 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 79759975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).