N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide

C14H15Cl2F3N2O2 — CID 172904027

IUPACN-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide
SMILESCOC1(C(F)(F)F)CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H15Cl2F3N2O2/c1-23-13(14(17,18)19)5-6-21(8-13)7-11(22)20-10-4-2-3-9(15)12(10)16/h2-4H,5-8H2,1H3,(H,20,22)
InChIKeyCWNRXTPJMOBXKG-UHFFFAOYSA-N
MW371.19 g/mol
LogP3.59
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide

N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide (PubChem CID 172904027) has the molecular formula C14H15Cl2F3N2O2 and a molecular weight of 371.19 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide
PubChem CID172904027
Molecular FormulaC14H15Cl2F3N2O2
Molecular Weight371.19 g/mol
Exact Mass370.05
IUPAC NameN-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide
SMILESCOC1(C(F)(F)F)CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H15Cl2F3N2O2/c1-23-13(14(17,18)19)5-6-21(8-13)7-11(22)20-10-4-2-3-9(15)12(10)16/h2-4H,5-8H2,1H3,(H,20,22)
InChIKeyCWNRXTPJMOBXKG-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 120772640
2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171337818
N-(2,3-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 87017466
N-(2,3-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801707
N-(2,3-dichlorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42918042
2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171704530
N-(2,3-dichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199177
N-(2,3-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2654826
N-(2,3-dichlorophenyl)-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186727
1-[2-(2-chloroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136943
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120771660
N-(2,3-dichlorophenyl)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8993006

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide (CID 172904027) is N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide is COC1(C(F)(F)F)CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is CWNRXTPJMOBXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F3N2O2/c1-23-13(14(17,18)19)5-6-21(8-13)7-11(22)20-10-4-2-3-9(15)12(10)16/h2-4H,5-8H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 371.19 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 172904027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).