4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide

C12H15BrN2O2 — CID 114103391

IUPAC4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCNC1)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H15BrN2O2/c13-10-2-1-9(5-11(10)16)12(17)15-7-8-3-4-14-6-8/h1-2,5,8,14,16H,3-4,6-7H2,(H,15,17)
InChIKeyYQXGYYNYCIWXNJ-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.49
Rot. Bonds3

About 4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide

4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 114103391) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID114103391
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCNC1)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H15BrN2O2/c13-10-2-1-9(5-11(10)16)12(17)15-7-8-3-4-14-6-8/h1-2,5,8,14,16H,3-4,6-7H2,(H,15,17)
InChIKeyYQXGYYNYCIWXNJ-UHFFFAOYSA-N
XLogP1.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
4-bromo-3-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 103872705
5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564437
4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103873189
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
4,5-dibromo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 58748196
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564844

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide (CID 114103391) is 4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide is O=C(NCC1CCNC1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is YQXGYYNYCIWXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-2-1-9(5-11(10)16)12(17)15-7-8-3-4-14-6-8/h1-2,5,8,14,16H,3-4,6-7H2,(H,15,17).
What are the key properties of 4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide?
4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 299.17 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 114103391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).