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

C19H21BrN2O2 — CID 110637633

IUPAC2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
SMILESCC1(C)COCCN1c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-19(2)13-24-12-11-22(19)15-9-7-14(8-10-15)21-18(23)16-5-3-4-6-17(16)20/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyFKLOWNGIKCVHDZ-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.32
Rot. Bonds3

About 2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide

2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide (PubChem CID 110637633) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
PubChem CID110637633
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
SMILESCC1(C)COCCN1c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-19(2)13-24-12-11-22(19)15-9-7-14(8-10-15)21-18(23)16-5-3-4-6-17(16)20/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyFKLOWNGIKCVHDZ-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

N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2-methoxybenzamide
CID 110408869
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
CID 110408865
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-methoxybenzamide
CID 110637636
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110408878
2-(4-chlorophenyl)-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]acetamide
CID 110408879
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637672
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
CID 110359755
2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 16800087
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519885

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide (CID 110637633) is 2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide is CC1(C)COCCN1c1ccc(NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide?
The InChIKey is FKLOWNGIKCVHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-19(2)13-24-12-11-22(19)15-9-7-14(8-10-15)21-18(23)16-5-3-4-6-17(16)20/h3-10H,11-13H2,1-2H3,(H,21,23).
What are the key properties of 2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide?
2-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 2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide is sourced from PubChem (CID 110637633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).