(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide

C21H16ClF3N2O — CID 2464532

IUPAC(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClF3N2O/c22-15-11-12-18(17(13-15)21(23,24)25)27-20(28)19(14-7-3-1-4-8-14)26-16-9-5-2-6-10-16/h1-13,19,26H,(H,27,28)/t19-/m0/s1
InChIKeyQPCXHHBJEGJMIL-IBGZPJMESA-N
MW404.82 g/mol
LogP6.15
Rot. Bonds5

About (2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide

(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide (PubChem CID 2464532) has the molecular formula C21H16ClF3N2O and a molecular weight of 404.82 g/mol. Its IUPAC name is (2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
PubChem CID2464532
Molecular FormulaC21H16ClF3N2O
Molecular Weight404.82 g/mol
Exact Mass404.09
IUPAC Name(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClF3N2O/c22-15-11-12-18(17(13-15)21(23,24)25)27-20(28)19(14-7-3-1-4-8-14)26-16-9-5-2-6-10-16/h1-13,19,26H,(H,27,28)/t19-/m0/s1
InChIKeyQPCXHHBJEGJMIL-IBGZPJMESA-N
XLogP6.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.82
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide
CID 2440712
(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
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide
CID 4842465
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
[(1S)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 2358089
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 9357576
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-cyclooctylazanium
CID 2440711
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 5237403
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide
CID 55430490

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide (CID 2464532) is (2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide?
The InChIKey is QPCXHHBJEGJMIL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H16ClF3N2O/c22-15-11-12-18(17(13-15)21(23,24)25)27-20(28)19(14-7-3-1-4-8-14)26-16-9-5-2-6-10-16/h1-13,19,26H,(H,27,28)/t19-/m0/s1.
What are the key properties of (2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide?
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide has a molecular weight of 404.82 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 2464532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).