N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide

C15H19BrN2O3 — CID 9451669

IUPACN-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C15H19BrN2O3/c1-11-2-3-13(12(16)10-11)17-14(19)4-5-15(20)18-6-8-21-9-7-18/h2-3,10H,4-9H2,1H3,(H,17,19)
InChIKeyGEVGMXLPANALAE-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.34
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide

N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 9451669) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID9451669
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC NameN-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C15H19BrN2O3/c1-11-2-3-13(12(16)10-11)17-14(19)4-5-15(20)18-6-8-21-9-7-18/h2-3,10H,4-9H2,1H3,(H,17,19)
InChIKeyGEVGMXLPANALAE-UHFFFAOYSA-N
XLogP2.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9473849
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914907
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014604
N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527541
N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456709
N-(2-bromo-4-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042186
N-(2-bromo-4-methylphenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27762665

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide (CID 9451669) is N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)N2CCOCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is GEVGMXLPANALAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-11-2-3-13(12(16)10-11)17-14(19)4-5-15(20)18-6-8-21-9-7-18/h2-3,10H,4-9H2,1H3,(H,17,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide?
N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 355.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 9451669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).