(2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide

C14H19FN2O3 — CID 97062130

IUPAC(2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)[C@@H]2CN(C)CCO2)cc1F
InChIInChI=1S/C14H19FN2O3/c1-16-6-7-20-13(9-16)14(18)17(2)10-4-5-12(19-3)11(15)8-10/h4-5,8,13H,6-7,9H2,1-3H3/t13-/m0/s1
InChIKeySQSHSAGWSZEFHV-ZDUSSCGKSA-N
MW282.31 g/mol
LogP1.13
Rot. Bonds3

About (2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide

(2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide (PubChem CID 97062130) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide
PubChem CID97062130
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name(2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)[C@@H]2CN(C)CCO2)cc1F
InChIInChI=1S/C14H19FN2O3/c1-16-6-7-20-13(9-16)14(18)17(2)10-4-5-12(19-3)11(15)8-10/h4-5,8,13H,6-7,9H2,1-3H3/t13-/m0/s1
InChIKeySQSHSAGWSZEFHV-ZDUSSCGKSA-N
XLogP1.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide
CID 97226830
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
CID 120637188
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172561
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
4-(3-fluoro-4-methoxybenzoyl)morpholine-2-carbothioamide
CID 79675182
(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 124508136
[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone
CID 167858885
(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 107128362
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide (CID 97062130) is (2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide is COc1ccc(N(C)C(=O)[C@@H]2CN(C)CCO2)cc1F.
What is the InChIKey of (2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide?
The InChIKey is SQSHSAGWSZEFHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-16-6-7-20-13(9-16)14(18)17(2)10-4-5-12(19-3)11(15)8-10/h4-5,8,13H,6-7,9H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide?
(2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 97062130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).