N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide

C19H28BrN3O2 — CID 47810584

IUPACN-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
SMILESCC1CN(CC2CCCN2CC(=O)Nc2ccccc2Br)CC(C)O1
InChIInChI=1S/C19H28BrN3O2/c1-14-10-22(11-15(2)25-14)12-16-6-5-9-23(16)13-19(24)21-18-8-4-3-7-17(18)20/h3-4,7-8,14-16H,5-6,9-13H2,1-2H3,(H,21,24)
InChIKeyRRIVPBBULLKDHN-UHFFFAOYSA-N
MW410.36 g/mol
LogP2.96
Rot. Bonds5

About N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide

N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide (PubChem CID 47810584) has the molecular formula C19H28BrN3O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
PubChem CID47810584
Molecular FormulaC19H28BrN3O2
Molecular Weight410.36 g/mol
Exact Mass409.14
IUPAC NameN-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
SMILESCC1CN(CC2CCCN2CC(=O)Nc2ccccc2Br)CC(C)O1
InChIInChI=1S/C19H28BrN3O2/c1-14-10-22(11-15(2)25-14)12-16-6-5-9-23(16)13-19(24)21-18-8-4-3-7-17(18)20/h3-4,7-8,14-16H,5-6,9-13H2,1-2H3,(H,21,24)
InChIKeyRRIVPBBULLKDHN-UHFFFAOYSA-N
XLogP2.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370730
N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 100842720
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 94798443
2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 52506437
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
N-cyclopropyl-2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95171694
2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 124730258
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95349786
2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 75921586
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-bromophenyl)acetamide
CID 11931200
methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025955
2-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 98727445

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide (CID 47810584) is N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide is CC1CN(CC2CCCN2CC(=O)Nc2ccccc2Br)CC(C)O1.
What is the InChIKey of N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is RRIVPBBULLKDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN3O2/c1-14-10-22(11-15(2)25-14)12-16-6-5-9-23(16)13-19(24)21-18-8-4-3-7-17(18)20/h3-4,7-8,14-16H,5-6,9-13H2,1-2H3,(H,21,24).
What are the key properties of N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide?
N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 410.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 47810584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).