4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide

C14H19BrN2O2 — CID 103872708

IUPAC4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
SMILESCCN1CCC(CNC(=O)c2ccc(Br)c(O)c2)C1
InChIInChI=1S/C14H19BrN2O2/c1-2-17-6-5-10(9-17)8-16-14(19)11-3-4-12(15)13(18)7-11/h3-4,7,10,18H,2,5-6,8-9H2,1H3,(H,16,19)
InChIKeyRGCLFFMTTLJFNE-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.23
Rot. Bonds4

About 4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide

4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide (PubChem CID 103872708) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
PubChem CID103872708
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
SMILESCCN1CCC(CNC(=O)c2ccc(Br)c(O)c2)C1
InChIInChI=1S/C14H19BrN2O2/c1-2-17-6-5-10(9-17)8-16-14(19)11-3-4-12(15)13(18)7-11/h3-4,7,10,18H,2,5-6,8-9H2,1H3,(H,16,19)
InChIKeyRGCLFFMTTLJFNE-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 103872705
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63212001
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964
N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956695
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243
4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 114103391
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 115770297
4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103873189

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide (CID 103872708) is 4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide is CCN1CCC(CNC(=O)c2ccc(Br)c(O)c2)C1.
What is the InChIKey of 4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide?
The InChIKey is RGCLFFMTTLJFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-2-17-6-5-10(9-17)8-16-14(19)11-3-4-12(15)13(18)7-11/h3-4,7,10,18H,2,5-6,8-9H2,1H3,(H,16,19).
What are the key properties of 4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide?
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide is sourced from PubChem (CID 103872708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).