N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide

C18H18ClF3N4O3 — CID 163350899

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
SMILESCOc1cnc(OC2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)nc1
InChIInChI=1S/C18H18ClF3N4O3/c1-28-13-7-23-17(24-8-13)29-12-4-5-26(9-12)10-16(27)25-15-6-11(18(20,21)22)2-3-14(15)19/h2-3,6-8,12H,4-5,9-10H2,1H3,(H,25,27)
InChIKeyFZLLHFKJYWUBPY-UHFFFAOYSA-N
MW430.81 g/mol
LogP3.25
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide (PubChem CID 163350899) has the molecular formula C18H18ClF3N4O3 and a molecular weight of 430.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
PubChem CID163350899
Molecular FormulaC18H18ClF3N4O3
Molecular Weight430.81 g/mol
Exact Mass430.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
SMILESCOc1cnc(OC2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)nc1
InChIInChI=1S/C18H18ClF3N4O3/c1-28-13-7-23-17(24-8-13)29-12-4-5-26(9-12)10-16(27)25-15-6-11(18(20,21)22)2-3-14(15)19/h2-3,6-8,12H,4-5,9-10H2,1H3,(H,25,27)
InChIKeyFZLLHFKJYWUBPY-UHFFFAOYSA-N
XLogP3.25
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
CID 163350759
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166602037
2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 171691231
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 1276717
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
ethyl (3R)-1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532524
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CID 22194773
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163352409
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide (CID 163350899) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide is COc1cnc(OC2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)nc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
The InChIKey is FZLLHFKJYWUBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O3/c1-28-13-7-23-17(24-8-13)29-12-4-5-26(9-12)10-16(27)25-15-6-11(18(20,21)22)2-3-14(15)19/h2-3,6-8,12H,4-5,9-10H2,1H3,(H,25,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide has a molecular weight of 430.81 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 163350899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).