3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide

C13H16BrNO2 — CID 99636900

IUPAC3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)N[C@H]2CCC[C@H]2O)c1
InChIInChI=1S/C13H16BrNO2/c1-8-5-9(7-10(14)6-8)13(17)15-11-3-2-4-12(11)16/h5-7,11-12,16H,2-4H2,1H3,(H,15,17)/t11-,12+/m0/s1
InChIKeyYBRQLUGPCSVCHY-NWDGAFQWSA-N
MW298.18 g/mol
LogP2.40
Rot. Bonds2

About 3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide

3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide (PubChem CID 99636900) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide
PubChem CID99636900
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)N[C@H]2CCC[C@H]2O)c1
InChIInChI=1S/C13H16BrNO2/c1-8-5-9(7-10(14)6-8)13(17)15-11-3-2-4-12(11)16/h5-7,11-12,16H,2-4H2,1H3,(H,15,17)/t11-,12+/m0/s1
InChIKeyYBRQLUGPCSVCHY-NWDGAFQWSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-3,5-dimethoxybenzamide
CID 104957285
3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
CID 113460730
3-bromo-N-(1,1-dioxothian-3-yl)-5-methylbenzamide
CID 104852729
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
CID 104957100
3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
CID 103908948

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide (CID 99636900) is 3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide is Cc1cc(Br)cc(C(=O)N[C@H]2CCC[C@H]2O)c1.
What is the InChIKey of 3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide?
The InChIKey is YBRQLUGPCSVCHY-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8-5-9(7-10(14)6-8)13(17)15-11-3-2-4-12(11)16/h5-7,11-12,16H,2-4H2,1H3,(H,15,17)/t11-,12+/m0/s1.
What are the key properties of 3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide?
3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide has a molecular weight of 298.18 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide is sourced from PubChem (CID 99636900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).