3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide

C19H21BrN2O2 — CID 110408865

IUPAC3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
SMILESCC1(C)COCCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-19(2)13-24-11-10-22(19)17-8-6-16(7-9-17)21-18(23)14-4-3-5-15(20)12-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyYBOHNGSNPZOMNO-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.32
Rot. Bonds3

About 3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide

3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide (PubChem CID 110408865) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
PubChem CID110408865
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
SMILESCC1(C)COCCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-19(2)13-24-11-10-22(19)17-8-6-16(7-9-17)21-18(23)14-4-3-5-15(20)12-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyYBOHNGSNPZOMNO-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

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Related Compounds

2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
CID 110637633
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-methoxybenzamide
CID 110637636
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2-methoxybenzamide
CID 110408869
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
3-bromo-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1276210
4-[3-[(3-bromophenyl)carbamoyl]phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67374630
3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide
CID 110637706
3-bromo-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1421697
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666688

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide (CID 110408865) is 3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide is CC1(C)COCCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide?
The InChIKey is YBOHNGSNPZOMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-19(2)13-24-11-10-22(19)17-8-6-16(7-9-17)21-18(23)14-4-3-5-15(20)12-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of 3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide?
3-bromo-N-[4-(3,3-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 3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide is sourced from PubChem (CID 110408865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).