4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide

C13H15ClN2O2 — CID 80719465

IUPAC4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESNc1ccc(C(=O)NC2CC3CCC2O3)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c14-9-5-7(1-3-10(9)15)13(17)16-11-6-8-2-4-12(11)18-8/h1,3,5,8,11-12H,2,4,6,15H2,(H,16,17)
InChIKeySBFHPMPUVPPIFU-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.97
Rot. Bonds2

About 4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide

4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide (PubChem CID 80719465) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
PubChem CID80719465
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESNc1ccc(C(=O)NC2CC3CCC2O3)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c14-9-5-7(1-3-10(9)15)13(17)16-11-6-8-2-4-12(11)18-8/h1,3,5,8,11-12H,2,4,6,15H2,(H,16,17)
InChIKeySBFHPMPUVPPIFU-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,5-dichloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80715634
6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide
CID 80602684
3,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113358348
3,5-diamino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80716270
3-hydroxy-4-iodo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113434890
3-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113256587
2-chloro-5-hydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 106502018
4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide
CID 80611769
3-hydroxy-4-nitro-N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 99833611
3-fluoro-4-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80611768
4-(3-aminoprop-1-ynyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80721102
N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99833542

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide (CID 80719465) is 4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide is Nc1ccc(C(=O)NC2CC3CCC2O3)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The InChIKey is SBFHPMPUVPPIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-9-5-7(1-3-10(9)15)13(17)16-11-6-8-2-4-12(11)18-8/h1,3,5,8,11-12H,2,4,6,15H2,(H,16,17).
What are the key properties of 4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide has a molecular weight of 266.73 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide is sourced from PubChem (CID 80719465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).