N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide

C20H22Br2N2O2 — CID 55625307

IUPACN-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3cc(Br)ccc3Br)cc2)CC(C)O1
InChIInChI=1S/C20H22Br2N2O2/c1-13-10-24(11-14(2)26-13)12-15-3-5-16(6-4-15)20(25)23-19-9-17(21)7-8-18(19)22/h3-9,13-14H,10-12H2,1-2H3,(H,23,25)
InChIKeyHAPGRBRCKHZQJX-UHFFFAOYSA-N
MW482.22 g/mol
LogP5.07
Rot. Bonds4

About N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide

N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (PubChem CID 55625307) has the molecular formula C20H22Br2N2O2 and a molecular weight of 482.22 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
PubChem CID55625307
Molecular FormulaC20H22Br2N2O2
Molecular Weight482.22 g/mol
Exact Mass480.00
IUPAC NameN-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3cc(Br)ccc3Br)cc2)CC(C)O1
InChIInChI=1S/C20H22Br2N2O2/c1-13-10-24(11-14(2)26-13)12-15-3-5-16(6-4-15)20(25)23-19-9-17(21)7-8-18(19)22/h3-9,13-14H,10-12H2,1-2H3,(H,23,25)
InChIKeyHAPGRBRCKHZQJX-UHFFFAOYSA-N
XLogP5.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.22
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide
CID 36666249
N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120568831
N-(6-amino-1,3-benzodioxol-5-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119618458
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 46404460
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 55635677
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 167765653
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087
N-(6-amino-3-pyridinyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119515670
methyl 4-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-1,1-dioxothiane-4-carboxylate
CID 124732929
5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 51940397

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The IUPAC name of N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (CID 55625307) is N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The canonical SMILES for N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is CC1CN(Cc2ccc(C(=O)Nc3cc(Br)ccc3Br)cc2)CC(C)O1.
What is the InChIKey of N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The InChIKey is HAPGRBRCKHZQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N2O2/c1-13-10-24(11-14(2)26-13)12-15-3-5-16(6-4-15)20(25)23-19-9-17(21)7-8-18(19)22/h3-9,13-14H,10-12H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide has a molecular weight of 482.22 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is sourced from PubChem (CID 55625307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).