(2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide

C14H19BrN2O2 — CID 124951417

IUPAC(2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(Cc2cccc(Br)c2)CCO1
InChIInChI=1S/C14H19BrN2O2/c1-14(13(18)16-2)10-17(6-7-19-14)9-11-4-3-5-12(15)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyDHPLVDAFPRQVJY-CQSZACIVSA-N
MW327.22 g/mol
LogP1.79
Rot. Bonds3

About (2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide

(2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 124951417) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
PubChem CID124951417
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(Cc2cccc(Br)c2)CCO1
InChIInChI=1S/C14H19BrN2O2/c1-14(13(18)16-2)10-17(6-7-19-14)9-11-4-3-5-12(15)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyDHPLVDAFPRQVJY-CQSZACIVSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
CID 95839825
3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid
CID 124945933
(2S)-N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632636
N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 110253457
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124961811
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
(2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839618
4-[(5-methoxy-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 127247721
1-[(3-bromo-4-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150971
1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 63457847
methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
CID 79822600

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide (CID 124951417) is (2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)[C@@]1(C)CN(Cc2cccc(Br)c2)CCO1.
What is the InChIKey of (2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is DHPLVDAFPRQVJY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-14(13(18)16-2)10-17(6-7-19-14)9-11-4-3-5-12(15)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
(2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 124951417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).