4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide

C17H23BrN2O — CID 66681471

IUPAC4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide
SMILESCc1cc(Br)ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CCCC1
InChIInChI=1S/C17H23BrN2O/c1-12-11-13(18)7-8-14(12)17(21)19-15-5-4-6-16(15)20-9-2-3-10-20/h7-8,11,15-16H,2-6,9-10H2,1H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyGOBWVNLHSFUYTF-CVEARBPZSA-N
MW351.29 g/mol
LogP3.50
Rot. Bonds3

About 4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide

4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide (PubChem CID 66681471) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide
PubChem CID66681471
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide
SMILESCc1cc(Br)ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CCCC1
InChIInChI=1S/C17H23BrN2O/c1-12-11-13(18)7-8-14(12)17(21)19-15-5-4-6-16(15)20-9-2-3-10-20/h7-8,11,15-16H,2-6,9-10H2,1H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyGOBWVNLHSFUYTF-CVEARBPZSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide?
The IUPAC name of 4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide (CID 66681471) is 4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide?
The canonical SMILES for 4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide is Cc1cc(Br)ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CCCC1.
What is the InChIKey of 4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide?
The InChIKey is GOBWVNLHSFUYTF-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-12-11-13(18)7-8-14(12)17(21)19-15-5-4-6-16(15)20-9-2-3-10-20/h7-8,11,15-16H,2-6,9-10H2,1H3,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of 4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide?
4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide has a molecular weight of 351.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide is sourced from PubChem (CID 66681471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).