(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide

C15H18ClF3N2O2 — CID 31519985

IUPAC(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide
SMILESC[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCO1
InChIInChI=1S/C15H18ClF3N2O2/c1-9-8-21(5-6-23-9)10(2)14(22)20-13-4-3-11(16)7-12(13)15(17,18)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,22)/t9-,10-/m0/s1
InChIKeyNKCHBLDKWLTXSA-UWVGGRQHSA-N
MW350.77 g/mol
LogP3.41
Rot. Bonds3

About (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide

(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide (PubChem CID 31519985) has the molecular formula C15H18ClF3N2O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide
PubChem CID31519985
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC Name(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide
SMILESC[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCO1
InChIInChI=1S/C15H18ClF3N2O2/c1-9-8-21(5-6-23-9)10(2)14(22)20-13-4-3-11(16)7-12(13)15(17,18)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,22)/t9-,10-/m0/s1
InChIKeyNKCHBLDKWLTXSA-UWVGGRQHSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 17432866
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55827029
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 51731055
1-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119908250
N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46687581
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249033
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55565860
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 55432574
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]propanamide
CID 34897079

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide (CID 31519985) is (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide is C[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCO1.
What is the InChIKey of (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide?
The InChIKey is NKCHBLDKWLTXSA-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c1-9-8-21(5-6-23-9)10(2)14(22)20-13-4-3-11(16)7-12(13)15(17,18)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,22)/t9-,10-/m0/s1.
What are the key properties of (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide?
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide has a molecular weight of 350.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide is sourced from PubChem (CID 31519985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).