N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide

C17H21BrN2O2 — CID 58487707

IUPACN-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1=C(N2CCOCC2)CCCC1
InChIInChI=1S/C17H21BrN2O2/c18-13-4-3-5-14(12-13)19-17(21)15-6-1-2-7-16(15)20-8-10-22-11-9-20/h3-5,12H,1-2,6-11H2,(H,19,21)
InChIKeyWYMCZDDIYXFLGY-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.55
Rot. Bonds3

About N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide

N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide (PubChem CID 58487707) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide
PubChem CID58487707
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC NameN-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1=C(N2CCOCC2)CCCC1
InChIInChI=1S/C17H21BrN2O2/c18-13-4-3-5-14(12-13)19-17(21)15-6-1-2-7-16(15)20-8-10-22-11-9-20/h3-5,12H,1-2,6-11H2,(H,19,21)
InChIKeyWYMCZDDIYXFLGY-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
N-(4-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carbothioamide
CID 12956398
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide
CID 83021926
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
4-[3-[(3-bromophenyl)carbamoyl]phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67374630
N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 43036296
2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide
CID 17452404
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide (CID 58487707) is N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide is O=C(Nc1cccc(Br)c1)C1=C(N2CCOCC2)CCCC1.
What is the InChIKey of N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide?
The InChIKey is WYMCZDDIYXFLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c18-13-4-3-5-14(12-13)19-17(21)15-6-1-2-7-16(15)20-8-10-22-11-9-20/h3-5,12H,1-2,6-11H2,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide?
N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide is sourced from PubChem (CID 58487707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).