(2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide

C13H16BrFN2O2 — CID 94187519

IUPAC(2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)C[C@@H](C)O1
InChIInChI=1S/C13H16BrFN2O2/c1-8-6-17(7-9(2)19-8)13(18)16-12-4-3-10(15)5-11(12)14/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)/t8-,9-/m1/s1
InChIKeyPGVLZOCRHKKHMO-RKDXNWHRSA-N
MW331.19 g/mol
LogP3.23
Rot. Bonds1

About (2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide

(2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 94187519) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is (2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID94187519
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name(2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)C[C@@H](C)O1
InChIInChI=1S/C13H16BrFN2O2/c1-8-6-17(7-9(2)19-8)13(18)16-12-4-3-10(15)5-11(12)14/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)/t8-,9-/m1/s1
InChIKeyPGVLZOCRHKKHMO-RKDXNWHRSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-fluorobenzoic acid
CID 61186692
(2S,6S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 51945235
1-[(2-bromo-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318584
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 2957705
2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-5-iodobenzoic acid
CID 63111639
1-[(2-bromo-4-fluorophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106743945
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837351
(2S)-1-[(2-bromo-4-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61194614
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide (CID 94187519) is (2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is PGVLZOCRHKKHMO-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-8-6-17(7-9(2)19-8)13(18)16-12-4-3-10(15)5-11(12)14/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)/t8-,9-/m1/s1.
What are the key properties of (2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
(2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 331.19 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 94187519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).