4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide

C15H20BrNO2 — CID 95292167

IUPAC4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
SMILESO=C(NC[C@H](O)C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h6-9,11,14,18H,1-5,10H2,(H,17,19)/t14-/m0/s1
InChIKeyJBQLSDVYIRDGCS-AWEZNQCLSA-N
MW326.23 g/mol
LogP3.12
Rot. Bonds4

About 4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide

4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide (PubChem CID 95292167) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
PubChem CID95292167
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
SMILESO=C(NC[C@H](O)C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h6-9,11,14,18H,1-5,10H2,(H,17,19)/t14-/m0/s1
InChIKeyJBQLSDVYIRDGCS-AWEZNQCLSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
CID 90498765
N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide
CID 91624535
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]thiophene-3-carboxamide
CID 95292148
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
CID 111477730
N-(2-cyclopentyl-2-hydroxyethyl)furan-3-carboxamide
CID 111426324
3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97218721
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 119944694
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111426410

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide?
The IUPAC name of 4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide (CID 95292167) is 4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide is O=C(NC[C@H](O)C1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide?
The InChIKey is JBQLSDVYIRDGCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h6-9,11,14,18H,1-5,10H2,(H,17,19)/t14-/m0/s1.
What are the key properties of 4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide?
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide has a molecular weight of 326.23 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide is sourced from PubChem (CID 95292167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).