N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide

C15H18ClF3N2O2 — CID 1276717

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H](C)O1
InChIInChI=1S/C15H18ClF3N2O2/c1-9-6-21(7-10(2)23-9)8-14(22)20-13-5-11(15(17,18)19)3-4-12(13)16/h3-5,9-10H,6-8H2,1-2H3,(H,20,22)/t9-,10-/m0/s1
InChIKeyQKBVZABEITUUKK-UWVGGRQHSA-N
MW350.77 g/mol
LogP3.41
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide (PubChem CID 1276717) has the molecular formula C15H18ClF3N2O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
PubChem CID1276717
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H](C)O1
InChIInChI=1S/C15H18ClF3N2O2/c1-9-6-21(7-10(2)23-9)8-14(22)20-13-5-11(15(17,18)19)3-4-12(13)16/h3-5,9-10H,6-8H2,1-2H3,(H,20,22)/t9-,10-/m0/s1
InChIKeyQKBVZABEITUUKK-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

2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4840176
2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 171691231
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467108
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46673989
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166602037
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]urea
CID 90676574
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163352409
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194773
ethyl (3R)-1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532524
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690692
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 86879234

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide (CID 1276717) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide is C[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H](C)O1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The InChIKey is QKBVZABEITUUKK-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c1-9-6-21(7-10(2)23-9)8-14(22)20-13-5-11(15(17,18)19)3-4-12(13)16/h3-5,9-10H,6-8H2,1-2H3,(H,20,22)/t9-,10-/m0/s1.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide 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 N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 1276717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).