2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide

C14H18BrNO2 — CID 94414749

IUPAC2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C14H18BrNO2/c15-11-7-5-10(6-8-11)9-14(18)16-12-3-1-2-4-13(12)17/h5-8,12-13,17H,1-4,9H2,(H,16,18)/t12-,13+/m0/s1
InChIKeyGPZQRLZBTJMJNY-QWHCGFSZSA-N
MW312.21 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide

2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide (PubChem CID 94414749) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
PubChem CID94414749
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C14H18BrNO2/c15-11-7-5-10(6-8-11)9-14(18)16-12-3-1-2-4-13(12)17/h5-8,12-13,17H,1-4,9H2,(H,16,18)/t12-,13+/m0/s1
InChIKeyGPZQRLZBTJMJNY-QWHCGFSZSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2225812
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
Hydroxylethylamine scaffold 51
CID 6539317
(R,5Z,8Z,11Z,14Z)-19-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)nonadeca-5,8,11,14-tetraenamide
CID 44563712
AC-P-Bromo-DL-phe-OH
CID 5172487
(2S)-3-(4-bromophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 168297144
4-bromo-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 56764307
2-bromo-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 56764308
N-cyclohexyl-2-hydroxy-4-phenylbutanamide
CID 54048905
4-bromo-N-cyclohexyl-alpha-hydroxybenzeneacetamide
CID 129841181
3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 71979385
2-(3-bromophenyl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 71984109

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide (CID 94414749) is 2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide is O=C(Cc1ccc(Br)cc1)N[C@H]1CCCC[C@H]1O.
What is the InChIKey of 2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide?
The InChIKey is GPZQRLZBTJMJNY-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-11-7-5-10(6-8-11)9-14(18)16-12-3-1-2-4-13(12)17/h5-8,12-13,17H,1-4,9H2,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of 2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide?
2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide has a molecular weight of 312.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 94414749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).