5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide

C17H17BrClN3O — CID 100704484

IUPAC5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCN1c1ccccn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H17BrClN3O/c18-12-6-7-15(19)14(10-12)17(23)21-11-13-4-3-9-22(13)16-5-1-2-8-20-16/h1-2,5-8,10,13H,3-4,9,11H2,(H,21,23)/t13-/m1/s1
InChIKeyOUGGARBFTRBXJU-CYBMUJFWSA-N
MW394.70 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide

5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 100704484) has the molecular formula C17H17BrClN3O and a molecular weight of 394.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide
PubChem CID100704484
Molecular FormulaC17H17BrClN3O
Molecular Weight394.70 g/mol
Exact Mass393.02
IUPAC Name5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCN1c1ccccn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H17BrClN3O/c18-12-6-7-15(19)14(10-12)17(23)21-11-13-4-3-9-22(13)16-5-1-2-8-20-16/h1-2,5-8,10,13H,3-4,9,11H2,(H,21,23)/t13-/m1/s1
InChIKeyOUGGARBFTRBXJU-CYBMUJFWSA-N
XLogP3.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.70
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 38655696
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2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
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5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
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5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
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4-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 114138158
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
CID 124885406
5-bromo-2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156896
2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 114138586
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide
CID 133342411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide (CID 100704484) is 5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide is O=C(NC[C@H]1CCCN1c1ccccn1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is OUGGARBFTRBXJU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17BrClN3O/c18-12-6-7-15(19)14(10-12)17(23)21-11-13-4-3-9-22(13)16-5-1-2-8-20-16/h1-2,5-8,10,13H,3-4,9,11H2,(H,21,23)/t13-/m1/s1.
What are the key properties of 5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide?
5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 394.70 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 100704484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).