4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide

C19H21BrN2O2 — CID 110637728

IUPAC4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C(C)CO1
InChIInChI=1S/C19H21BrN2O2/c1-13-12-24-14(2)11-22(13)18-9-7-17(8-10-18)21-19(23)15-3-5-16(20)6-4-15/h3-10,13-14H,11-12H2,1-2H3,(H,21,23)
InChIKeyDVTABLRGVOIJKW-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.32
Rot. Bonds3

About 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide

4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide (PubChem CID 110637728) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide
PubChem CID110637728
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C(C)CO1
InChIInChI=1S/C19H21BrN2O2/c1-13-12-24-14(2)11-22(13)18-9-7-17(8-10-18)21-19(23)15-3-5-16(20)6-4-15/h3-10,13-14H,11-12H2,1-2H3,(H,21,23)
InChIKeyDVTABLRGVOIJKW-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]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

N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]-2-methoxybenzamide
CID 110637730
N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 110637763
4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637249
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824391
4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882091
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
CID 129145042
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612
1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone
CID 83119152
4-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 7106083

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide (CID 110637728) is 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide is CC1CN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C(C)CO1.
What is the InChIKey of 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide?
The InChIKey is DVTABLRGVOIJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-12-24-14(2)11-22(13)18-9-7-17(8-10-18)21-19(23)15-3-5-16(20)6-4-15/h3-10,13-14H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide?
4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide is sourced from PubChem (CID 110637728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).