2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C23H21F3N2O — CID 9393079

IUPAC2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc([C@H](NCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)27-15-21(29)28-20-10-6-5-9-19(20)23(24,25)26/h2-14,22,27H,15H2,1H3,(H,28,29)/t22-/m1/s1
InChIKeySBDXADLYNWXTJX-JOCHJYFZSA-N
MW398.43 g/mol
LogP5.33
Rot. Bonds6

About 2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 9393079) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID9393079
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc([C@H](NCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)27-15-21(29)28-20-10-6-5-9-19(20)23(24,25)26/h2-14,22,27H,15H2,1H3,(H,28,29)/t22-/m1/s1
InChIKeySBDXADLYNWXTJX-JOCHJYFZSA-N
XLogP5.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393487
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392611
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8641468
N-(2,5-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393367
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide
CID 8641426
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392402
N-(2-acetylphenyl)-2-(benzhydrylamino)acetamide
CID 7971269

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 9393079) is 2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1ccc([C@H](NCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SBDXADLYNWXTJX-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21F3N2O/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)27-15-21(29)28-20-10-6-5-9-19(20)23(24,25)26/h2-14,22,27H,15H2,1H3,(H,28,29)/t22-/m1/s1.
What are the key properties of 2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 398.43 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9393079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).