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

C15H20BrFN2O2 — CID 120929775

IUPAC(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C15H20BrFN2O2/c1-3-19(9-11-8-12(16)4-5-13(11)17)15(20)14-10(2)21-7-6-18-14/h4-5,8,10,14,18H,3,6-7,9H2,1-2H3/t10-,14+/m1/s1
InChIKeyONPXQHYPZRBZHD-YGRLFVJLSA-N
MW359.24 g/mol
LogP2.31
Rot. Bonds4

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

(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide (PubChem CID 120929775) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide
PubChem CID120929775
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C15H20BrFN2O2/c1-3-19(9-11-8-12(16)4-5-13(11)17)15(20)14-10(2)21-7-6-18-14/h4-5,8,10,14,18H,3,6-7,9H2,1-2H3/t10-,14+/m1/s1
InChIKeyONPXQHYPZRBZHD-YGRLFVJLSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.31
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-ethyl-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide (CID 120929775) is (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide is CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide?
The InChIKey is ONPXQHYPZRBZHD-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-3-19(9-11-8-12(16)4-5-13(11)17)15(20)14-10(2)21-7-6-18-14/h4-5,8,10,14,18H,3,6-7,9H2,1-2H3/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide has a molecular weight of 359.24 g/mol, XLogP of 2.31, 4 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-ethyl-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120929775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).