N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide

C19H22ClF3N2O2 — CID 143301719

IUPACN-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C1C(Cc2ccc(NC(=O)C(F)(F)F)cc2Cl)CCN1C1CCCCC1
InChIInChI=1S/C19H22ClF3N2O2/c20-16-11-14(24-18(27)19(21,22)23)7-6-12(16)10-13-8-9-25(17(13)26)15-4-2-1-3-5-15/h6-7,11,13,15H,1-5,8-10H2,(H,24,27)
InChIKeyXHPYLMVBKRCIMT-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.56
Rot. Bonds4

About N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide

N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 143301719) has the molecular formula C19H22ClF3N2O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID143301719
Molecular FormulaC19H22ClF3N2O2
Molecular Weight402.84 g/mol
Exact Mass402.13
IUPAC NameN-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C1C(Cc2ccc(NC(=O)C(F)(F)F)cc2Cl)CCN1C1CCCCC1
InChIInChI=1S/C19H22ClF3N2O2/c20-16-11-14(24-18(27)19(21,22)23)7-6-12(16)10-13-8-9-25(17(13)26)15-4-2-1-3-5-15/h6-7,11,13,15H,1-5,8-10H2,(H,24,27)
InChIKeyXHPYLMVBKRCIMT-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide (CID 143301719) is N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide is O=C1C(Cc2ccc(NC(=O)C(F)(F)F)cc2Cl)CCN1C1CCCCC1.
What is the InChIKey of N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is XHPYLMVBKRCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N2O2/c20-16-11-14(24-18(27)19(21,22)23)7-6-12(16)10-13-8-9-25(17(13)26)15-4-2-1-3-5-15/h6-7,11,13,15H,1-5,8-10H2,(H,24,27).
What are the key properties of N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide?
N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 402.84 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 143301719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).