3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide

C12H15BrN2O — CID 79689154

IUPAC3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1c(Br)cccc1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C12H15BrN2O/c1-8-10(3-2-4-11(8)13)12(16)15-9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyNZFLQOIPJCAJRW-SECBINFHSA-N
MW283.17 g/mol
LogP1.85
Rot. Bonds2

About 3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide

3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 79689154) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID79689154
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1c(Br)cccc1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C12H15BrN2O/c1-8-10(3-2-4-11(8)13)12(16)15-9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyNZFLQOIPJCAJRW-SECBINFHSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 79036258
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450814
4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113346376

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 79689154) is 3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide is Cc1c(Br)cccc1C(=O)N[C@@H]1CCNC1.
What is the InChIKey of 3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is NZFLQOIPJCAJRW-SECBINFHSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-10(3-2-4-11(8)13)12(16)15-9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 283.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 79689154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).