4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide

C21H25BrN2O4 — CID 25485450

IUPAC4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc(OC)c1Br
InChIInChI=1S/C21H25BrN2O4/c1-26-18-12-16(13-19(27-2)20(18)22)21(25)23-17(15-6-4-3-5-7-15)14-24-8-10-28-11-9-24/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyBARHJZIZHFYSQE-KRWDZBQOSA-N
MW449.35 g/mol
LogP3.27
Rot. Bonds7

About 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide

4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide (PubChem CID 25485450) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
PubChem CID25485450
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC Name4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc(OC)c1Br
InChIInChI=1S/C21H25BrN2O4/c1-26-18-12-16(13-19(27-2)20(18)22)21(25)23-17(15-6-4-3-5-7-15)14-24-8-10-28-11-9-24/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyBARHJZIZHFYSQE-KRWDZBQOSA-N
XLogP3.27
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]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

3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide
CID 18166790
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
2-(2-methoxyphenoxy)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18103834
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide
CID 9148597
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
2-(3-methoxyphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18166755
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide (CID 25485450) is 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide is COc1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The InChIKey is BARHJZIZHFYSQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-26-18-12-16(13-19(27-2)20(18)22)21(25)23-17(15-6-4-3-5-7-15)14-24-8-10-28-11-9-24/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide has a molecular weight of 449.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide is sourced from PubChem (CID 25485450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).