3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide

C15H18BrNO2 — CID 76941453

IUPAC3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Br)c1)NC1CCCCC1O
InChIInChI=1S/C15H18BrNO2/c16-12-5-3-4-11(10-12)8-9-15(19)17-13-6-1-2-7-14(13)18/h3-5,8-10,13-14,18H,1-2,6-7H2,(H,17,19)
InChIKeyWSXXVSOGLIHDBY-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.88
Rot. Bonds3

About 3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide

3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide (PubChem CID 76941453) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
PubChem CID76941453
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Br)c1)NC1CCCCC1O
InChIInChI=1S/C15H18BrNO2/c16-12-5-3-4-11(10-12)8-9-15(19)17-13-6-1-2-7-14(13)18/h3-5,8-10,13-14,18H,1-2,6-7H2,(H,17,19)
InChIKeyWSXXVSOGLIHDBY-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-bromophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7976082
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
(E)-3-(5-bromo-2-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104956948
(E)-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 55063743
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-3-(4-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104956851
(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide
CID 43010855
(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549911
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104957071
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
(E)-3-(3-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 42904423

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide?
The IUPAC name of 3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide (CID 76941453) is 3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide is O=C(C=Cc1cccc(Br)c1)NC1CCCCC1O.
What is the InChIKey of 3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide?
The InChIKey is WSXXVSOGLIHDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-12-5-3-4-11(10-12)8-9-15(19)17-13-6-1-2-7-14(13)18/h3-5,8-10,13-14,18H,1-2,6-7H2,(H,17,19).
What are the key properties of 3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide?
3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide has a molecular weight of 324.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide is sourced from PubChem (CID 76941453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).