(4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone

C14H17BrN2O2 — CID 167131809

IUPAC(4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CC2CC1CN2C
InChIInChI=1S/C14H17BrN2O2/c1-16-7-11-6-10(16)8-17(11)14(18)12-4-3-9(15)5-13(12)19-2/h3-5,10-11H,6-8H2,1-2H3
InChIKeyOVSBUXTWJUTLJQ-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.99
Rot. Bonds2

About (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone

(4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 167131809) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID167131809
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name(4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CC2CC1CN2C
InChIInChI=1S/C14H17BrN2O2/c1-16-7-11-6-10(16)8-17(11)14(18)12-4-3-9(15)5-13(12)19-2/h3-5,10-11H,6-8H2,1-2H3
InChIKeyOVSBUXTWJUTLJQ-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone with MolForge

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Related Compounds

(4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 81344910
1-(4-bromo-2-methoxybenzoyl)azetidine-3-carboxylic acid
CID 115368654
(4-bromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 78987496
(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115369691
(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 79005801
3-(4-bromo-2-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113295957
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
4-(4-bromo-2-methoxybenzoyl)thiomorpholine-3-carbonitrile
CID 122134535
1-(4-bromo-2-methoxybenzoyl)pyrrolidine-2-carbonitrile
CID 115369074
(4-bromo-2-methoxyphenyl)-[2-(bromomethyl)azepan-1-yl]methanone
CID 116639440
4-(4-bromo-2-methoxybenzoyl)thiomorpholine-3-carboxylic acid
CID 82901340

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone (CID 167131809) is (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone is COc1cc(Br)ccc1C(=O)N1CC2CC1CN2C.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is OVSBUXTWJUTLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-16-7-11-6-10(16)8-17(11)14(18)12-4-3-9(15)5-13(12)19-2/h3-5,10-11H,6-8H2,1-2H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
(4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 325.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 167131809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).