(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide

C14H18BrFN2O2 — CID 120929767

IUPAC(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H18BrFN2O2/c1-9-13(17-5-6-20-9)14(19)18(2)8-10-7-11(15)3-4-12(10)16/h3-4,7,9,13,17H,5-6,8H2,1-2H3/t9-,13+/m1/s1
InChIKeySSDNGDARWYMIPC-RNCFNFMXSA-N
MW345.21 g/mol
LogP1.92
Rot. Bonds3

About (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide

(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide (PubChem CID 120929767) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
PubChem CID120929767
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H18BrFN2O2/c1-9-13(17-5-6-20-9)14(19)18(2)8-10-7-11(15)3-4-12(10)16/h3-4,7,9,13,17H,5-6,8H2,1-2H3/t9-,13+/m1/s1
InChIKeySSDNGDARWYMIPC-RNCFNFMXSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4877762
(2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide
CID 45486398
N-[(5-bromo-2-fluorophenyl)methyl]-2-(carbamoylamino)-N-ethylpropanamide
CID 53519517
N-[(4-fluorophenyl)methyl]-2-[methyl(2-morpholin-4-ylethyl)amino]propanamide
CID 53613825
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 56677292
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-di(propan-2-yl)oxamide
CID 122224391
N-[1-(4-fluorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 17452218
5-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-fluorobenzamide
CID 42943278
2-[1-(3-fluorobenzyl)-3-oxo-2-piperazinyl]-N-(2-isopropoxyethyl)acetamide
CID 45192769
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 47057317
N-[(5-bromo-2-fluorophenyl)methyl]-2-(carbamoylamino)-N-prop-2-enylpropanamide
CID 47090335
2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093492

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide (CID 120929767) is (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1cc(Br)ccc1F.
What is the InChIKey of (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide?
The InChIKey is SSDNGDARWYMIPC-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-9-13(17-5-6-20-9)14(19)18(2)8-10-7-11(15)3-4-12(10)16/h3-4,7,9,13,17H,5-6,8H2,1-2H3/t9-,13+/m1/s1.
What are the key properties of (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide?
(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide has a molecular weight of 345.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 120929767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).