N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide

C14H18Br2N2O2 — CID 3810125

IUPACN-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide
SMILESCC(C)c1cc(Br)c(NC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O2/c1-9(2)10-7-11(15)13(12(16)8-10)17-14(19)18-3-5-20-6-4-18/h7-9H,3-6H2,1-2H3,(H,17,19)
InChIKeyWVRXZIHPFANDCH-UHFFFAOYSA-N
MW406.12 g/mol
LogP4.20
Rot. Bonds2

About N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide

N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide (PubChem CID 3810125) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide
PubChem CID3810125
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC NameN-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide
SMILESCC(C)c1cc(Br)c(NC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O2/c1-9(2)10-7-11(15)13(12(16)8-10)17-14(19)18-3-5-20-6-4-18/h7-9H,3-6H2,1-2H3,(H,17,19)
InChIKeyWVRXZIHPFANDCH-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 4986012
4-(2-cyanophenyl)-N-(2,6-dibromo-4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 3818405
N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3870864
(3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone
CID 164895388
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
N-[4-[1-(methylamino)ethyl]phenyl]morpholine-4-carboxamide
CID 61341444
N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide
CID 5094614
N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
CID 103755867
N-(4-amino-2,6-dibromophenyl)azepane-1-carboxamide
CID 79151818
N-(3-methyl-1,2-oxazol-5-yl)morpholine-4-carboxamide
CID 115603435
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(3,5-dihydroxyphenyl)morpholine-4-carboxamide
CID 108895379

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide (CID 3810125) is N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide is CC(C)c1cc(Br)c(NC(=O)N2CCOCC2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide?
The InChIKey is WVRXZIHPFANDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-9(2)10-7-11(15)13(12(16)8-10)17-14(19)18-3-5-20-6-4-18/h7-9H,3-6H2,1-2H3,(H,17,19).
What are the key properties of N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide?
N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide has a molecular weight of 406.12 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 3810125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).