N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide

C14H18Br2N2O2 — CID 5094614

IUPACN-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide
SMILESCc1cc(Br)c(NC(=O)C(C)N2CCOCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O2/c1-9-7-11(15)13(12(16)8-9)17-14(19)10(2)18-3-5-20-6-4-18/h7-8,10H,3-6H2,1-2H3,(H,17,19)
InChIKeyLWUKLQXFUOWEST-UHFFFAOYSA-N
MW406.12 g/mol
LogP3.18
Rot. Bonds3

About N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide

N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide (PubChem CID 5094614) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide
PubChem CID5094614
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide
SMILESCc1cc(Br)c(NC(=O)C(C)N2CCOCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O2/c1-9-7-11(15)13(12(16)8-9)17-14(19)10(2)18-3-5-20-6-4-18/h7-8,10H,3-6H2,1-2H3,(H,17,19)
InChIKeyLWUKLQXFUOWEST-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 82342693
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
(2R)-N-(2-benzoyl-4-methylphenyl)-2-morpholin-4-ylpropanamide
CID 6551381
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
(2R)-N-[2-(4-methylbenzoyl)phenyl]-2-morpholin-4-ylpropanamide
CID 97426909
N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide
CID 110483733
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3810125

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide (CID 5094614) is N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide is Cc1cc(Br)c(NC(=O)C(C)N2CCOCC2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide?
The InChIKey is LWUKLQXFUOWEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-9-7-11(15)13(12(16)8-9)17-14(19)10(2)18-3-5-20-6-4-18/h7-8,10H,3-6H2,1-2H3,(H,17,19).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide?
N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide has a molecular weight of 406.12 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 5094614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).