6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C15H19BrN2O2 — CID 114945125

IUPAC6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O2/c1-14(2)12-11(6-7-20-12)15(14,17)13(19)18-10-5-3-4-9(16)8-10/h3-5,8,11-12H,6-7,17H2,1-2H3,(H,18,19)
InChIKeyFKGPOYNKSUGRHW-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.53
Rot. Bonds2

About 6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945125) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945125
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O2/c1-14(2)12-11(6-7-20-12)15(14,17)13(19)18-10-5-3-4-9(16)8-10/h3-5,8,11-12H,6-7,17H2,1-2H3,(H,18,19)
InChIKeyFKGPOYNKSUGRHW-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(2-bromo-3-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946445
6-amino-N-(5-bromo-3-methyl-2-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946546
6-amino-7,7-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946605
7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945058
trans-(1S,3R)-3-[(3-bromophenyl)carbamoyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 51921818
7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946068
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
6-amino-7,7-dimethyl-N-(1-methylcyclohexyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945890
7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946084
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid
CID 83559333
2-[[2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]acetyl]amino]acetic acid
CID 114945698

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945125) is 6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1(C)C2OCCC2C1(N)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is FKGPOYNKSUGRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-14(2)12-11(6-7-20-12)15(14,17)13(19)18-10-5-3-4-9(16)8-10/h3-5,8,11-12H,6-7,17H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).