N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide

C22H27BrN2O3 — CID 56500983

IUPACN-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)c1
InChIInChI=1S/C22H27BrN2O3/c1-17(15-24-10-12-28-13-11-24)25(16-18-6-4-3-5-7-18)22(26)20-14-19(27-2)8-9-21(20)23/h3-9,14,17H,10-13,15-16H2,1-2H3
InChIKeyBWBAPJHDZZFOKR-UHFFFAOYSA-N
MW447.37 g/mol
LogP3.82
Rot. Bonds7

About N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide

N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 56500983) has the molecular formula C22H27BrN2O3 and a molecular weight of 447.37 g/mol. Its IUPAC name is N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID56500983
Molecular FormulaC22H27BrN2O3
Molecular Weight447.37 g/mol
Exact Mass446.12
IUPAC NameN-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)c1
InChIInChI=1S/C22H27BrN2O3/c1-17(15-24-10-12-28-13-11-24)25(16-18-6-4-3-5-7-18)22(26)20-14-19(27-2)8-9-21(20)23/h3-9,14,17H,10-13,15-16H2,1-2H3
InChIKeyBWBAPJHDZZFOKR-UHFFFAOYSA-N
XLogP3.82
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56570050
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 56542784
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide
CID 112810487
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 56581067
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 56501654
2-[4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56500698
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 56500963

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 56500983) is N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide is COc1ccc(Br)c(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)c1.
What is the InChIKey of N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is BWBAPJHDZZFOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3/c1-17(15-24-10-12-28-13-11-24)25(16-18-6-4-3-5-7-18)22(26)20-14-19(27-2)8-9-21(20)23/h3-9,14,17H,10-13,15-16H2,1-2H3.
What are the key properties of N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 447.37 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 56500983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).