4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid

C18H22BrNO4 — CID 120673076

IUPAC4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCOC(c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C18H22BrNO4/c19-15-7-5-12(6-8-15)16-11-20(9-10-24-16)17(21)13-1-3-14(4-2-13)18(22)23/h5-8,13-14,16H,1-4,9-11H2,(H,22,23)
InChIKeyQSKHYARADRERNK-UHFFFAOYSA-N
MW396.28 g/mol
LogP3.24
Rot. Bonds3

About 4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid

4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120673076) has the molecular formula C18H22BrNO4 and a molecular weight of 396.28 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120673076
Molecular FormulaC18H22BrNO4
Molecular Weight396.28 g/mol
Exact Mass395.07
IUPAC Name4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCOC(c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C18H22BrNO4/c19-15-7-5-12(6-8-15)16-11-20(9-10-24-16)17(21)13-1-3-14(4-2-13)18(22)23/h5-8,13-14,16H,1-4,9-11H2,(H,22,23)
InChIKeyQSKHYARADRERNK-UHFFFAOYSA-N
XLogP3.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone
CID 125135358
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 93173457
[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 47404799
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308183
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110102575
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 94005516
4-[[2-(4-bromophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021453

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid (CID 120673076) is 4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCOC(c3ccc(Br)cc3)C2)CC1.
What is the InChIKey of 4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is QSKHYARADRERNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO4/c19-15-7-5-12(6-8-15)16-11-20(9-10-24-16)17(21)13-1-3-14(4-2-13)18(22)23/h5-8,13-14,16H,1-4,9-11H2,(H,22,23).
What are the key properties of 4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 396.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).