(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide

C23H26ClF3N2O — CID 2440712

IUPAC(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NC1CCCCCCC1)c1ccccc1
InChIInChI=1S/C23H26ClF3N2O/c24-17-13-14-20(19(15-17)23(25,26)27)29-22(30)21(16-9-5-4-6-10-16)28-18-11-7-2-1-3-8-12-18/h4-6,9-10,13-15,18,21,28H,1-3,7-8,11-12H2,(H,29,30)/t21-/m1/s1
InChIKeyGUCFCNIKKNULPZ-OAQYLSRUSA-N
MW438.92 g/mol
LogP6.74
Rot. Bonds5

About (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide

(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide (PubChem CID 2440712) has the molecular formula C23H26ClF3N2O and a molecular weight of 438.92 g/mol. Its IUPAC name is (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide
PubChem CID2440712
Molecular FormulaC23H26ClF3N2O
Molecular Weight438.92 g/mol
Exact Mass438.17
IUPAC Name(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NC1CCCCCCC1)c1ccccc1
InChIInChI=1S/C23H26ClF3N2O/c24-17-13-14-20(19(15-17)23(25,26)27)29-22(30)21(16-9-5-4-6-10-16)28-18-11-7-2-1-3-8-12-18/h4-6,9-10,13-15,18,21,28H,1-3,7-8,11-12H2,(H,29,30)/t21-/m1/s1
InChIKeyGUCFCNIKKNULPZ-OAQYLSRUSA-N
XLogP6.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-cyclooctylazanium
CID 2440711
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 2464532
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] cyclohexanecarboxylate
CID 3625259
[(1S)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 2358089
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide
CID 4842465
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]-2-phenylacetamide
CID 2562154
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 9357576
(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 40632646
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
CID 7874399
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 74226457
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide?
The IUPAC name of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide (CID 2440712) is (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide?
The canonical SMILES for (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NC1CCCCCCC1)c1ccccc1.
What is the InChIKey of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide?
The InChIKey is GUCFCNIKKNULPZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26ClF3N2O/c24-17-13-14-20(19(15-17)23(25,26)27)29-22(30)21(16-9-5-4-6-10-16)28-18-11-7-2-1-3-8-12-18/h4-6,9-10,13-15,18,21,28H,1-3,7-8,11-12H2,(H,29,30)/t21-/m1/s1.
What are the key properties of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide?
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide has a molecular weight of 438.92 g/mol, XLogP of 6.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide is sourced from PubChem (CID 2440712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).