N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide

C21H24BrN3O3 — CID 60538677

IUPACN-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide
SMILESCC1CN(C(=O)c2ccc(NCC(=O)Nc3ccccc3Br)cc2)CC(C)O1
InChIInChI=1S/C21H24BrN3O3/c1-14-12-25(13-15(2)28-14)21(27)16-7-9-17(10-8-16)23-11-20(26)24-19-6-4-3-5-18(19)22/h3-10,14-15,23H,11-13H2,1-2H3,(H,24,26)
InChIKeyWZJSVIOLOPHSAB-UHFFFAOYSA-N
MW446.35 g/mol
LogP3.75
Rot. Bonds5

About N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide

N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide (PubChem CID 60538677) has the molecular formula C21H24BrN3O3 and a molecular weight of 446.35 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide
PubChem CID60538677
Molecular FormulaC21H24BrN3O3
Molecular Weight446.35 g/mol
Exact Mass445.10
IUPAC NameN-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide
SMILESCC1CN(C(=O)c2ccc(NCC(=O)Nc3ccccc3Br)cc2)CC(C)O1
InChIInChI=1S/C21H24BrN3O3/c1-14-12-25(13-15(2)28-14)21(27)16-7-9-17(10-8-16)23-11-20(26)24-19-6-4-3-5-18(19)22/h3-10,14-15,23H,11-13H2,1-2H3,(H,24,26)
InChIKeyWZJSVIOLOPHSAB-UHFFFAOYSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057
methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate
CID 94631757
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119744220
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
1-(azocan-1-yl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethanone
CID 94631749
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 119744229
2-(2-bromoanilino)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]acetamide
CID 42069205
2-(2-bromoanilino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]acetamide
CID 42069203
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119744228
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide (CID 60538677) is N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide is CC1CN(C(=O)c2ccc(NCC(=O)Nc3ccccc3Br)cc2)CC(C)O1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide?
The InChIKey is WZJSVIOLOPHSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O3/c1-14-12-25(13-15(2)28-14)21(27)16-7-9-17(10-8-16)23-11-20(26)24-19-6-4-3-5-18(19)22/h3-10,14-15,23H,11-13H2,1-2H3,(H,24,26).
What are the key properties of N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide?
N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide has a molecular weight of 446.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 60538677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).